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

C12H15N3O3S2 — CID 23004527

IUPACN-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H15N3O3S2/c1-8-10(11(16)15-6-7-19-12(15)13-8)20(17,18)14-9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3
InChIKeySAPCVVKTICWPIU-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.29
Rot. Bonds3

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

N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004527) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004527
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H15N3O3S2/c1-8-10(11(16)15-6-7-19-12(15)13-8)20(17,18)14-9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3
InChIKeySAPCVVKTICWPIU-UHFFFAOYSA-N
XLogP1.29
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004527) is N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2sccn2c(=O)c1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is SAPCVVKTICWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-8-10(11(16)15-6-7-19-12(15)13-8)20(17,18)14-9-4-2-3-5-9/h6-7,9,14H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).