N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S — CID 102635379

IUPACN-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cnc2sccn2c1=O)C1CCCCC1O
InChIInChI=1S/C14H17N3O3S/c1-16(10-4-2-3-5-11(10)18)12(19)9-8-15-14-17(13(9)20)6-7-21-14/h6-8,10-11,18H,2-5H2,1H3
InChIKeyUOQDJIWDLCKQGQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.13
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 102635379) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID102635379
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCN(C(=O)c1cnc2sccn2c1=O)C1CCCCC1O
InChIInChI=1S/C14H17N3O3S/c1-16(10-4-2-3-5-11(10)18)12(19)9-8-15-14-17(13(9)20)6-7-21-14/h6-8,10-11,18H,2-5H2,1H3
InChIKeyUOQDJIWDLCKQGQ-UHFFFAOYSA-N
XLogP1.13
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[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-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 102635379) is N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CN(C(=O)c1cnc2sccn2c1=O)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is UOQDJIWDLCKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-16(10-4-2-3-5-11(10)18)12(19)9-8-15-14-17(13(9)20)6-7-21-14/h6-8,10-11,18H,2-5H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 102635379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).