N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide

C15H16N6O2S — CID 138017039

IUPACN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide
SMILESCOc1c(C)cnc(Cn2cnc(NC(=O)c3ccns3)n2)c1C
InChIInChI=1S/C15H16N6O2S/c1-9-6-16-11(10(2)13(9)23-3)7-21-8-17-15(20-21)19-14(22)12-4-5-18-24-12/h4-6,8H,7H2,1-3H3,(H,19,20,22)
InChIKeyURSBLBXXJHHYDP-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.06
Rot. Bonds5

About N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide

N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide (PubChem CID 138017039) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide
PubChem CID138017039
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide
SMILESCOc1c(C)cnc(Cn2cnc(NC(=O)c3ccns3)n2)c1C
InChIInChI=1S/C15H16N6O2S/c1-9-6-16-11(10(2)13(9)23-3)7-21-8-17-15(20-21)19-14(22)12-4-5-18-24-12/h4-6,8H,7H2,1-3H3,(H,19,20,22)
InChIKeyURSBLBXXJHHYDP-UHFFFAOYSA-N
XLogP2.06
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-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 N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide (CID 138017039) is N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide is COc1c(C)cnc(Cn2cnc(NC(=O)c3ccns3)n2)c1C.
What is the InChIKey of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide?
The InChIKey is URSBLBXXJHHYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-9-6-16-11(10(2)13(9)23-3)7-21-8-17-15(20-21)19-14(22)12-4-5-18-24-12/h4-6,8H,7H2,1-3H3,(H,19,20,22).
What are the key properties of N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide?
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 138017039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).