3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile

C17H19N3S — CID 82098398

IUPAC3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile
SMILESCC(C)c1nc2c(s1)CN(Cc1cccc(C#N)c1)CC2
InChIInChI=1S/C17H19N3S/c1-12(2)17-19-15-6-7-20(11-16(15)21-17)10-14-5-3-4-13(8-14)9-18/h3-5,8,12H,6-7,10-11H2,1-2H3
InChIKeyROZNVZLTUIWYRU-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.70
Rot. Bonds3

About 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile

3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile (PubChem CID 82098398) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile
PubChem CID82098398
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile
SMILESCC(C)c1nc2c(s1)CN(Cc1cccc(C#N)c1)CC2
InChIInChI=1S/C17H19N3S/c1-12(2)17-19-15-6-7-20(11-16(15)21-17)10-14-5-3-4-13(8-14)9-18/h3-5,8,12H,6-7,10-11H2,1-2H3
InChIKeyROZNVZLTUIWYRU-UHFFFAOYSA-N
XLogP3.70
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile with MolForge

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Related Compounds

1-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanamine
CID 61337225
5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
3-(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-amine
CID 82098278
3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 5217862
3-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114522523
3-[(5-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 70906125
3-[(4-oxo-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 135919056
1-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851704
butane;3-(6-ethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)benzonitrile
CID 143291323
5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 42870724
3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride
CID 171689891

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile?
The IUPAC name of 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile (CID 82098398) is 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile is CC(C)c1nc2c(s1)CN(Cc1cccc(C#N)c1)CC2.
What is the InChIKey of 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile?
The InChIKey is ROZNVZLTUIWYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12(2)17-19-15-6-7-20(11-16(15)21-17)10-14-5-3-4-13(8-14)9-18/h3-5,8,12H,6-7,10-11H2,1-2H3.
What are the key properties of 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile?
3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile has a molecular weight of 297.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile is sourced from PubChem (CID 82098398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).