7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C17H19N3O3S2 — CID 23004554

IUPAC7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCCC(Cc1ccccc1)NS(=O)(=O)c1c(C)nc2sccn2c1=O
InChIInChI=1S/C17H19N3O3S2/c1-3-14(11-13-7-5-4-6-8-13)19-25(22,23)15-12(2)18-17-20(16(15)21)9-10-24-17/h4-10,14,19H,3,11H2,1-2H3
InChIKeyUSHBSRDWVNXHRH-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.36
Rot. Bonds6

About 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 23004554) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID23004554
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCCC(Cc1ccccc1)NS(=O)(=O)c1c(C)nc2sccn2c1=O
InChIInChI=1S/C17H19N3O3S2/c1-3-14(11-13-7-5-4-6-8-13)19-25(22,23)15-12(2)18-17-20(16(15)21)9-10-24-17/h4-10,14,19H,3,11H2,1-2H3
InChIKeyUSHBSRDWVNXHRH-UHFFFAOYSA-N
XLogP2.36
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4414779
N-(3-ethylphenyl)-3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8083595
N-benzyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8087931
3,7-dimethyl-5-oxo-N-(2-phenylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8087996
N-(3,4-dimethylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8099619
N-(2,5-dimethylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8099633
3,7-dimethyl-5-oxo-N-(1-phenylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 22432723
2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2-phenylethyl)acetamide
CID 135441620
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4369940
N-(2,3-dimethylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8099669
3,7-dimethyl-5-oxo-N-(1-phenylbutan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 20098607
7-methyl-N-[2-(4-methylphenyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8087932

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 23004554) is 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is CCC(Cc1ccccc1)NS(=O)(=O)c1c(C)nc2sccn2c1=O.
What is the InChIKey of 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is USHBSRDWVNXHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-14(11-13-7-5-4-6-8-13)19-25(22,23)15-12(2)18-17-20(16(15)21)9-10-24-17/h4-10,14,19H,3,11H2,1-2H3.
What are the key properties of 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxo-N-(1-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 23004554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).