3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C16H17N3O3S2 — CID 22432723

IUPAC3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H17N3O3S2/c1-10-9-23-16-17-12(3)14(15(20)19(10)16)24(21,22)18-11(2)13-7-5-4-6-8-13/h4-9,11,18H,1-3H3
InChIKeyWUWVNNSSAMBIKZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.41
Rot. Bonds4

About 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 22432723) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID22432723
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H17N3O3S2/c1-10-9-23-16-17-12(3)14(15(20)19(10)16)24(21,22)18-11(2)13-7-5-4-6-8-13/h4-9,11,18H,1-3H3
InChIKeyWUWVNNSSAMBIKZ-UHFFFAOYSA-N
XLogP2.41
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 22432723) is 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NC(C)c1ccccc1.
What is the InChIKey of 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is WUWVNNSSAMBIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-10-9-23-16-17-12(3)14(15(20)19(10)16)24(21,22)18-11(2)13-7-5-4-6-8-13/h4-9,11,18H,1-3H3.
What are the key properties of 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 22432723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).