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

C14H13N3O4S2 — CID 15990025

IUPACN-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13N3O4S2/c1-8-7-22-14-15-9(2)12(13(19)17(8)14)23(20,21)16-10-4-3-5-11(18)6-10/h3-7,16,18H,1-2H3
InChIKeyJEGVBAUSAXFLOX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.88
Rot. Bonds3

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

N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 15990025) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID15990025
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H13N3O4S2/c1-8-7-22-14-15-9(2)12(13(19)17(8)14)23(20,21)16-10-4-3-5-11(18)6-10/h3-7,16,18H,1-2H3
InChIKeyJEGVBAUSAXFLOX-UHFFFAOYSA-N
XLogP1.88
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 15990025) is N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is JEGVBAUSAXFLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-8-7-22-14-15-9(2)12(13(19)17(8)14)23(20,21)16-10-4-3-5-11(18)6-10/h3-7,16,18H,1-2H3.
What are the key properties of N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 15990025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).