7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H15N3O3S2 — CID 667334

IUPAC7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(S(=O)(=O)CC2CSc3nc(N)cc(=O)n32)cc1
InChIInChI=1S/C14H15N3O3S2/c1-9-2-4-11(5-3-9)22(19,20)8-10-7-21-14-16-12(15)6-13(18)17(10)14/h2-6,10H,7-8,15H2,1H3
InChIKeyVOISGZBAZRPECV-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.25
Rot. Bonds3

About 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 667334) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID667334
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(S(=O)(=O)CC2CSc3nc(N)cc(=O)n32)cc1
InChIInChI=1S/C14H15N3O3S2/c1-9-2-4-11(5-3-9)22(19,20)8-10-7-21-14-16-12(15)6-13(18)17(10)14/h2-6,10H,7-8,15H2,1H3
InChIKeyVOISGZBAZRPECV-UHFFFAOYSA-N
XLogP1.25
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one 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 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 667334) is 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(S(=O)(=O)CC2CSc3nc(N)cc(=O)n32)cc1.
What is the InChIKey of 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VOISGZBAZRPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-9-2-4-11(5-3-9)22(19,20)8-10-7-21-14-16-12(15)6-13(18)17(10)14/h2-6,10H,7-8,15H2,1H3.
What are the key properties of 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 667334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).