N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H19N3O3S2 — CID 126471301

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H19N3O3S2/c1-8(2)6-9(7-18)15-11(19)10-12(21-3)16-14-17(13(10)20)4-5-22-14/h4-5,8-9,18H,6-7H2,1-3H3,(H,15,19)
InChIKeyCBJVTDTYWXWTDL-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.61
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471301) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471301
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H19N3O3S2/c1-8(2)6-9(7-18)15-11(19)10-12(21-3)16-14-17(13(10)20)4-5-22-14/h4-5,8-9,18H,6-7H2,1-3H3,(H,15,19)
InChIKeyCBJVTDTYWXWTDL-UHFFFAOYSA-N
XLogP1.61
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-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-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471301) is N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NC(CO)CC(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CBJVTDTYWXWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-8(2)6-9(7-18)15-11(19)10-12(21-3)16-14-17(13(10)20)4-5-22-14/h4-5,8-9,18H,6-7H2,1-3H3,(H,15,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).