4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C14H15N3O4S2 — CID 118613049

IUPAC4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(OC2CS(=O)(=O)C2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C14H15N3O4S2/c1-8-3-10(21-11-6-23(19,20)7-11)4-12(15-8)13(18)17-14-16-9(2)5-22-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyPHYYFBVKSMMINU-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.58
Rot. Bonds4

About 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 118613049) has the molecular formula C14H15N3O4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID118613049
Molecular FormulaC14H15N3O4S2
Molecular Weight353.43 g/mol
Exact Mass353.05
IUPAC Name4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(OC2CS(=O)(=O)C2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C14H15N3O4S2/c1-8-3-10(21-11-6-23(19,20)7-11)4-12(15-8)13(18)17-14-16-9(2)5-22-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyPHYYFBVKSMMINU-UHFFFAOYSA-N
XLogP1.58
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide 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 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 118613049) is 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1cc(OC2CS(=O)(=O)C2)cc(C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is PHYYFBVKSMMINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S2/c1-8-3-10(21-11-6-23(19,20)7-11)4-12(15-8)13(18)17-14-16-9(2)5-22-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothietan-3-yl)oxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118613049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).