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

C14H15N3O3S — CID 118612937

IUPAC6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2COC2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C14H15N3O3S/c1-8-3-10(20-11-5-19-6-11)4-12(15-8)13(18)17-14-16-9(2)7-21-14/h3-4,7,11H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyTWDKMDFZCVCNFZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.18
Rot. Bonds4

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

6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide (PubChem CID 118612937) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide
PubChem CID118612937
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2COC2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C14H15N3O3S/c1-8-3-10(20-11-5-19-6-11)4-12(15-8)13(18)17-14-16-9(2)7-21-14/h3-4,7,11H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyTWDKMDFZCVCNFZ-UHFFFAOYSA-N
XLogP2.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.18
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-(oxetan-3-yloxy)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide (CID 118612937) is 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide is Cc1cc(OC2COC2)cc(C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The InChIKey is TWDKMDFZCVCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-3-10(20-11-5-19-6-11)4-12(15-8)13(18)17-14-16-9(2)7-21-14/h3-4,7,11H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of 6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxetan-3-yloxy)pyridine-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.18, 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-(oxetan-3-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 118612937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).