N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C20H21N3O3S — CID 118766149

IUPACN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(=O)nc4sccn34)CCCC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-15-6-4-14(5-7-15)20(8-2-3-9-20)13-21-18(25)16-12-17(24)22-19-23(16)10-11-27-19/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,25)
InChIKeyIRASPEKRIXCRPI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.01
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 118766149) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID118766149
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(=O)nc4sccn34)CCCC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-15-6-4-14(5-7-15)20(8-2-3-9-20)13-21-18(25)16-12-17(24)22-19-23(16)10-11-27-19/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,25)
InChIKeyIRASPEKRIXCRPI-UHFFFAOYSA-N
XLogP3.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59768254
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47921780
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 118766149) is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is COc1ccc(C2(CNC(=O)c3cc(=O)nc4sccn34)CCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is IRASPEKRIXCRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-15-6-4-14(5-7-15)20(8-2-3-9-20)13-21-18(25)16-12-17(24)22-19-23(16)10-11-27-19/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,21,25).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 118766149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).