6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide

C14H15N3O2S2 — CID 118612925

IUPAC6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2CSC2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C14H15N3O2S2/c1-8-3-10(19-11-6-20-7-11)4-12(15-8)13(18)17-14-16-9(2)5-21-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyURWMBPGXYABPIH-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.90
Rot. Bonds4

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

6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide (PubChem CID 118612925) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide
PubChem CID118612925
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2CSC2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C14H15N3O2S2/c1-8-3-10(19-11-6-20-7-11)4-12(15-8)13(18)17-14-16-9(2)5-21-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyURWMBPGXYABPIH-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide (CID 118612925) is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide is Cc1cc(OC2CSC2)cc(C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide?
The InChIKey is URWMBPGXYABPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-8-3-10(19-11-6-20-7-11)4-12(15-8)13(18)17-14-16-9(2)5-21-14/h3-5,11H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide?
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(thietan-3-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 118612925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).