benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole

C105H189N11O2S — CID 160957117

IUPACbenzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1cscn1
InChIInChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C6H10N2.C6H6.C5H5N.C4H6N2.7C4H10.C3H3NS.9C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-2-6-9-8(4-1)5-3-7-10-9;1-10-8-5-3-2-4-7(8)6-9-10;1-2-4-8-7(3-1)9-5-6-10-8;1-6(2)8-5-3-4-7-8;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;7*1-4(2)3;1-2-5-3-4-1;9*1-2/h3-8H,1-2H3;1-7H;2-6H,1H3;1-4H,5-6H2;3-6H,1-2H3;1-6H;1-5H;2-4H,1H3;7*4H,1-3H3;1-3H;9*1-2H3
InChIKeySWNOBHOVJONLSR-UHFFFAOYSA-N
MW1669.81 g/mol
LogP34.55
Rot. Bonds2

About benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole

benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole (PubChem CID 160957117) has the molecular formula C105H189N11O2S and a molecular weight of 1669.81 g/mol. Its IUPAC name is benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole.

Molecular Properties

Compound Namebenzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole
PubChem CID160957117
Molecular FormulaC105H189N11O2S
Molecular Weight1669.81 g/mol
Exact Mass1668.47
IUPAC Namebenzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1cscn1
InChIInChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C6H10N2.C6H6.C5H5N.C4H6N2.7C4H10.C3H3NS.9C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-2-6-9-8(4-1)5-3-7-10-9;1-10-8-5-3-2-4-7(8)6-9-10;1-2-4-8-7(3-1)9-5-6-10-8;1-6(2)8-5-3-4-7-8;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;7*1-4(2)3;1-2-5-3-4-1;9*1-2/h3-8H,1-2H3;1-7H;2-6H,1H3;1-4H,5-6H2;3-6H,1-2H3;1-6H;1-5H;2-4H,1H3;7*4H,1-3H3;1-3H;9*1-2H3
InChIKeySWNOBHOVJONLSR-UHFFFAOYSA-N
XLogP34.55
TPSA128.41 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.81
LogP ≤ 534.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))
CID 157071985
1,3-Benzodioxole;7-tert-butyl-1,3-benzothiazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole;2,3-dihydro-1,4-benzodioxine;methane;bis(2-methylpropane)
CID 157247914
2,3-Dihydro-1,4-benzodioxine;ethane;1-methylindazole;tris(2-methylpropane);1-propan-2-ylindazole;quinoline
CID 157619123
1-benzothiophene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;octakis(2,2-dimethylpropane);1H-indole;pyridine;thiadiazole;1,3-thiazole;thiophene
CID 158367354
Benzene;2,3-dihydro-1,4-benzodioxine;ethane;bis(1-methylindazole);hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylpyrrole;pyridine;quinoline
CID 158533329
Benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrrole;pyridine;quinoline
CID 159396834
Benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline
CID 160628662
1,3-Benzodioxole;6-tert-butyl-3a,6a-dihydrothieno[2,3-d][1,3]thiazole;7-tert-butyl-1,3-benzothiazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;1,2-dihydroquinoline;tris(2-methylpropane)
CID 160918390
Benzene;ethane;2-methylpropane;1-methyl-4-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;1-propan-2-ylindazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;2-propan-2-ylquinoline
CID 161131240
1,3-Benzodioxole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylthieno[2,3-b]pyridine;2,3-dihydro-1,4-benzodioxine;bis(2-methylpropane)
CID 161992822
1-benzothiophene;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;1H-indole;octakis(2-methylpropane);pyridine;thiadiazole;1,3-thiazole;thiophene
CID 164045448
Benzene;2,3-dihydro-1,4-benzodioxine;ethane;methane;1-methylindazole;hexakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline
CID 167678200

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole?
The IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole (CID 160957117) is benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole.
What is the SMILES notation for benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole?
The canonical SMILES for benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ncc2ccccc21.Cn1cccn1.Cn1ncc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1cscn1.
What is the InChIKey of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole?
The InChIKey is SWNOBHOVJONLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H7N.C8H8N2.C8H8O2.C6H10N2.C6H6.C5H5N.C4H6N2.7C4H10.C3H3NS.9C2H6/c1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-2-6-9-8(4-1)5-3-7-10-9;1-10-8-5-3-2-4-7(8)6-9-10;1-2-4-8-7(3-1)9-5-6-10-8;1-6(2)8-5-3-4-7-8;2*1-2-4-6-5-3-1;1-6-4-2-3-5-6;7*1-4(2)3;1-2-5-3-4-1;9*1-2/h3-8H,1-2H3;1-7H;2-6H,1H3;1-4H,5-6H2;3-6H,1-2H3;1-6H;1-5H;2-4H,1H3;7*4H,1-3H3;1-3H;9*1-2H3.
What are the key properties of benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole?
benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole has a molecular weight of 1669.81 g/mol, XLogP of 34.55, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dihydro-1,4-benzodioxine;ethane;1-methylindazole;heptakis(2-methylpropane);1-methylpyrazole;1-propan-2-ylindazole;1-propan-2-ylpyrazole;pyridine;quinoline;1,3-thiazole is sourced from PubChem (CID 160957117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).