N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H25N3O2S — CID 47915171

IUPACN-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C17H25N3O2S/c1-2-3-4-12-5-7-13(8-6-12)19-15(21)14-11-18-17-20(16(14)22)9-10-23-17/h11-13H,2-10H2,1H3,(H,19,21)
InChIKeyQLSISODPQDWRJY-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.83
Rot. Bonds5

About N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 47915171) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID47915171
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C17H25N3O2S/c1-2-3-4-12-5-7-13(8-6-12)19-15(21)14-11-18-17-20(16(14)22)9-10-23-17/h11-13H,2-10H2,1H3,(H,19,21)
InChIKeyQLSISODPQDWRJY-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 47915171) is N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is QLSISODPQDWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-3-4-12-5-7-13(8-6-12)19-15(21)14-11-18-17-20(16(14)22)9-10-23-17/h11-13H,2-10H2,1H3,(H,19,21).
What are the key properties of N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 47915171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).