methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine

C109H133N19O2S3 — CID 158141998

IUPACmethane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESC.C.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2scnc12.CC(C)c1ccc2ccccn12.CC(C)c1ccc2cccnn12.CC(C)c1ccn2ccccc12.CC(C)c1onc2ccccc12.CC(C)c1onc2cccnc12.CC(C)c1snc2ccccc12.CC(C)c1snc2cccnc12.CC(C)n1ccc2ccccc21
InChIInChI=1S/3C11H13N.2C10H12N2.C10H11NO.C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C7H9N3S.2CH4/c1-9(2)11-7-6-10-5-3-4-8-12(10)11;1-9(2)10-6-8-12-7-4-3-5-11(10)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-6-5-9-4-3-7-11-12(9)10;3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)8-9-7(11-12-8)4-3-5-10-9;2*1-6(2)9-8-7(11-12-9)4-3-5-10-8;1-4(2)5-6-7(10-9-5)11-3-8-6;;/h3*3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3;3-4H,1-2H3,(H,9,10);2*1H4
InChIKeyFUBAVOOOFHNURM-UHFFFAOYSA-N
MW1837.59 g/mol
LogP31.52
Rot. Bonds11

About methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine

methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 158141998) has the molecular formula C109H133N19O2S3 and a molecular weight of 1837.59 g/mol. Its IUPAC name is methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Namemethane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID158141998
Molecular FormulaC109H133N19O2S3
Molecular Weight1837.59 g/mol
Exact Mass1836.01
IUPAC Namemethane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESC.C.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2scnc12.CC(C)c1ccc2ccccn12.CC(C)c1ccc2cccnn12.CC(C)c1ccn2ccccc12.CC(C)c1onc2ccccc12.CC(C)c1onc2cccnc12.CC(C)c1snc2ccccc12.CC(C)c1snc2cccnc12.CC(C)n1ccc2ccccc21
InChIInChI=1S/3C11H13N.2C10H12N2.C10H11NO.C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C7H9N3S.2CH4/c1-9(2)11-7-6-10-5-3-4-8-12(10)11;1-9(2)10-6-8-12-7-4-3-5-11(10)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-6-5-9-4-3-7-11-12(9)10;3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)8-9-7(11-12-8)4-3-5-10-9;2*1-6(2)9-8-7(11-12-9)4-3-5-10-8;1-4(2)5-6-7(10-9-5)11-3-8-6;;/h3*3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3;3-4H,1-2H3,(H,9,10);2*1H4
InChIKeyFUBAVOOOFHNURM-UHFFFAOYSA-N
XLogP31.52
TPSA246.49 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.59
LogP ≤ 531.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
CID 159048173
3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
CID 160184988

Frequently Asked Questions

What is the IUPAC name of methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine (CID 158141998) is methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine is C.C.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2scnc12.CC(C)c1ccc2ccccn12.CC(C)c1ccc2cccnn12.CC(C)c1ccn2ccccc12.CC(C)c1onc2ccccc12.CC(C)c1onc2cccnc12.CC(C)c1snc2ccccc12.CC(C)c1snc2cccnc12.CC(C)n1ccc2ccccc21.
What is the InChIKey of methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is FUBAVOOOFHNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13N.2C10H12N2.C10H11NO.C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C7H9N3S.2CH4/c1-9(2)11-7-6-10-5-3-4-8-12(10)11;1-9(2)10-6-8-12-7-4-3-5-11(10)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)10-6-5-9-4-3-7-11-12(9)10;3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)8-9-7(11-12-8)4-3-5-10-9;2*1-6(2)9-8-7(11-12-9)4-3-5-10-8;1-4(2)5-6-7(10-9-5)11-3-8-6;;/h3*3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3;3-4H,1-2H3,(H,9,10);2*1H4.
What are the key properties of methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 1837.59 g/mol, XLogP of 31.52, 11 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylindole;1-propan-2-ylindolizine;3-propan-2-ylindolizine;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;7-propan-2-ylpyrrolo[1,2-b]pyridazine;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 158141998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).