N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C13H17N3O3S2 — CID 23004528

IUPACN-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C13H17N3O3S2/c1-9-11(12(17)16-7-8-20-13(16)14-9)21(18,19)15-10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
InChIKeyVZDQFTLRSBRDFG-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.68
Rot. Bonds3

About N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004528) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004528
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C13H17N3O3S2/c1-9-11(12(17)16-7-8-20-13(16)14-9)21(18,19)15-10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
InChIKeyVZDQFTLRSBRDFG-UHFFFAOYSA-N
XLogP1.68
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004528) is N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is VZDQFTLRSBRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9-11(12(17)16-7-8-20-13(16)14-9)21(18,19)15-10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).