6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C17H24N4O2S — CID 126803353

IUPAC6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC1CCC(O)(Cn2cnc3nc(N4CCCC4)sc3c2=O)CC1
InChIInChI=1S/C17H24N4O2S/c1-12-4-6-17(23,7-5-12)10-21-11-18-14-13(15(21)22)24-16(19-14)20-8-2-3-9-20/h11-12,23H,2-10H2,1H3
InChIKeyOEWVCARDYSULKD-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.39
Rot. Bonds3

About 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 126803353) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID126803353
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC1CCC(O)(Cn2cnc3nc(N4CCCC4)sc3c2=O)CC1
InChIInChI=1S/C17H24N4O2S/c1-12-4-6-17(23,7-5-12)10-21-11-18-14-13(15(21)22)24-16(19-14)20-8-2-3-9-20/h11-12,23H,2-10H2,1H3
InChIKeyOEWVCARDYSULKD-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one 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-cyclohexyl-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785191
N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 51364176
6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 93062511
N-butan-2-yl-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 51369155
N-(3,5-dimethylphenyl)-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784944
2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 95182085
2-[2-[(3R)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 95182084
N-[(4-fluorophenyl)methyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182097
2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50784828
N-[(4-chlorophenyl)methyl]-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785162
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452
N-(4-fluorophenyl)-2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 51363498

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 126803353) is 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CC1CCC(O)(Cn2cnc3nc(N4CCCC4)sc3c2=O)CC1.
What is the InChIKey of 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is OEWVCARDYSULKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-4-6-17(23,7-5-12)10-21-11-18-14-13(15(21)22)24-16(19-14)20-8-2-3-9-20/h11-12,23H,2-10H2,1H3.
What are the key properties of 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 348.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 126803353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).