N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H19N3O3S — CID 135853358

IUPACN-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NC3CCCCCC3)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-9-8-22-15-17-13(20)11(14(21)18(9)15)12(19)16-10-6-4-2-3-5-7-10/h8,10,20H,2-7H2,1H3,(H,16,19)
InChIKeyNHHLAXMDHRVOQU-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds2

About N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853358) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853358
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NC3CCCCCC3)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-9-8-22-15-17-13(20)11(14(21)18(9)15)12(19)16-10-6-4-2-3-5-7-10/h8,10,20H,2-7H2,1H3,(H,16,19)
InChIKeyNHHLAXMDHRVOQU-UHFFFAOYSA-N
XLogP2.22
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-7-hydroxy-3-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-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853358) is N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NC3CCCCCC3)c(=O)n12.
What is the InChIKey of N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NHHLAXMDHRVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-8-22-15-17-13(20)11(14(21)18(9)15)12(19)16-10-6-4-2-3-5-7-10/h8,10,20H,2-7H2,1H3,(H,16,19).
What are the key properties of N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).