N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide

C23H32N6O3S — CID 51364176

IUPACN-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)CC1
InChIInChI=1S/C23H32N6O3S/c1-14-2-4-16(5-3-14)25-18(30)12-29-13-24-20-19(22(29)32)33-23(27-20)28-10-8-15(9-11-28)21(31)26-17-6-7-17/h13-17H,2-12H2,1H3,(H,25,30)(H,26,31)
InChIKeyFNIGZROOPOXRMP-UHFFFAOYSA-N
MW472.62 g/mol
LogP2.04
Rot. Bonds6

About N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 51364176) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID51364176
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC NameN-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)CC1
InChIInChI=1S/C23H32N6O3S/c1-14-2-4-16(5-3-14)25-18(30)12-29-13-24-20-19(22(29)32)33-23(27-20)28-10-8-15(9-11-28)21(31)26-17-6-7-17/h13-17H,2-12H2,1H3,(H,25,30)(H,26,31)
InChIKeyFNIGZROOPOXRMP-UHFFFAOYSA-N
XLogP2.04
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide 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-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 51363419
(3S)-1-[6-[2-(cyclopentylamino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 92883952
N-cyclopropyl-1-[6-[2-(4-ethoxyanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 50926795
N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 93071640
1-[6-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 51364175
1-[6-(2-amino-2-oxoethyl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide
CID 53129111
1-[6-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide
CID 95092230
ethyl 4-[[2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]piperidine-1-carboxylate
CID 50927784
1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide
CID 53129099
N-ethyl-1-[7-oxo-6-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 53129021
N-ethyl-1-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 53129061

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 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) is N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide is CC1CCC(NC(=O)Cn2cnc3nc(N4CCC(C(=O)NC5CC5)CC4)sc3c2=O)CC1.
What is the InChIKey of N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is FNIGZROOPOXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c1-14-2-4-16(5-3-14)25-18(30)12-29-13-24-20-19(22(29)32)33-23(27-20)28-10-8-15(9-11-28)21(31)26-17-6-7-17/h13-17H,2-12H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51364176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).