5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole

C105H106BrF10N21O2S4 — CID 160951764

IUPAC5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole
SMILESCc1cc(C(F)(F)F)ccn1.Cc1cc[nH]c(=O)c1.Cc1ccc(Br)cn1.Cc1ccc(C#N)cn1.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2nc(C)sc2c1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1nc(-c2ccc(F)cc2)cs1.Cc1nccc(C(F)(F)F)n1.Cc1nccc2sccc12.Cc1ncccn1.Cc1nnc(C(F)(F)F)s1.Cc1noc2ccccc12
InChIInChI=1S/C10H8FNS.C10H12N2.C9H9NS.C8H7NO.C8H7NS.C7H6F3N.C7H6N2.C7H9N.C6H6BrN.C6H5F3N2.C6H8N2.C6H7NO.C6H7N.C5H6N2.C4H3F3N2S/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-3-5-10-8(7)2-4-9-6;1-5-4-6(2-3-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)4-8-5;1-4-10-3-2-5(11-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-5-2-3-7-6(8)4-5;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-2-8-9-3(10-2)4(5,6)7/h2-6H,1H3;4-6H,1-3H3;3-5H,1-2H3;2*2-5H,1H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3,(H,7,8);2-5H,1H3;2-4H,1H3;1H3
InChIKeySVVVMIOLGRLQNJ-UHFFFAOYSA-N
MW2092.30 g/mol
LogP28.24
Rot. Bonds1

About 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole

5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole (PubChem CID 160951764) has the molecular formula C105H106BrF10N21O2S4 and a molecular weight of 2092.30 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole
PubChem CID160951764
Molecular FormulaC105H106BrF10N21O2S4
Molecular Weight2092.30 g/mol
Exact Mass2089.67
IUPAC Name5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole
SMILESCc1cc(C(F)(F)F)ccn1.Cc1cc[nH]c(=O)c1.Cc1ccc(Br)cn1.Cc1ccc(C#N)cn1.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2nc(C)sc2c1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1nc(-c2ccc(F)cc2)cs1.Cc1nccc(C(F)(F)F)n1.Cc1nccc2sccc12.Cc1ncccn1.Cc1nnc(C(F)(F)F)s1.Cc1noc2ccccc12
InChIInChI=1S/C10H8FNS.C10H12N2.C9H9NS.C8H7NO.C8H7NS.C7H6F3N.C7H6N2.C7H9N.C6H6BrN.C6H5F3N2.C6H8N2.C6H7NO.C6H7N.C5H6N2.C4H3F3N2S/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-3-5-10-8(7)2-4-9-6;1-5-4-6(2-3-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)4-8-5;1-4-10-3-2-5(11-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-5-2-3-7-6(8)4-5;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-2-8-9-3(10-2)4(5,6)7/h2-6H,1H3;4-6H,1-3H3;3-5H,1-2H3;2*2-5H,1H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3,(H,7,8);2-5H,1H3;2-4H,1H3;1H3
InChIKeySVVVMIOLGRLQNJ-UHFFFAOYSA-N
XLogP28.24
TPSA306.74 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds1
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.30
LogP ≤ 528.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole with MolForge

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Related Compounds

5-bromo-2-methylpyridine;2-(1,1-difluoroethyl)-5-methyl-1,3,4-thiadiazole;2,6-dimethyl-1,3-benzothiazole;bis(2,4-dimethylpyridine);5-ethynyl-2-methylpyridine;methane;5-methyl-1,3-benzodioxole;3-methyl-1,2-benzoxazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;bis(2-methylpyridine);4-methylpyridine;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylpyrimidine;2-methylquinoline;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;1,2,5-trimethylbenzimidazole
CID 158363966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole?
The IUPAC name of 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole (CID 160951764) is 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole.
What is the SMILES notation for 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole?
The canonical SMILES for 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole is Cc1cc(C(F)(F)F)ccn1.Cc1cc[nH]c(=O)c1.Cc1ccc(Br)cn1.Cc1ccc(C#N)cn1.Cc1ccc2c(c1)nc(C)n2C.Cc1ccc2nc(C)sc2c1.Cc1ccccn1.Cc1ccnc(C)c1.Cc1cnc(C)nc1.Cc1nc(-c2ccc(F)cc2)cs1.Cc1nccc(C(F)(F)F)n1.Cc1nccc2sccc12.Cc1ncccn1.Cc1nnc(C(F)(F)F)s1.Cc1noc2ccccc12.
What is the InChIKey of 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole?
The InChIKey is SVVVMIOLGRLQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS.C10H12N2.C9H9NS.C8H7NO.C8H7NS.C7H6F3N.C7H6N2.C7H9N.C6H6BrN.C6H5F3N2.C6H8N2.C6H7NO.C6H7N.C5H6N2.C4H3F3N2S/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8;1-7-4-5-10-9(6-7)11-8(2)12(10)3;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-7-3-5-10-8(7)2-4-9-6;1-5-4-6(2-3-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-8-7(2)5-6;1-5-2-3-6(7)4-8-5;1-4-10-3-2-5(11-4)6(7,8)9;1-5-3-7-6(2)8-4-5;1-5-2-3-7-6(8)4-5;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-2-8-9-3(10-2)4(5,6)7/h2-6H,1H3;4-6H,1-3H3;3-5H,1-2H3;2*2-5H,1H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;3-4H,1-2H3;2-4H,1H3,(H,7,8);2-5H,1H3;2-4H,1H3;1H3.
What are the key properties of 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole?
5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole has a molecular weight of 2092.30 g/mol, XLogP of 28.24, 1 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;2,6-dimethyl-1,3-benzothiazole;2,4-dimethylpyridine;2,5-dimethylpyrimidine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;3-methyl-1,2-benzoxazole;2-methylpyridine;6-methylpyridine-3-carbonitrile;4-methyl-1H-pyridin-2-one;2-methylpyrimidine;4-methylthieno[3,2-c]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;1,2,5-trimethylbenzimidazole is sourced from PubChem (CID 160951764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).