4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C19H19N7O2S — CID 71793303

IUPAC4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
InChIInChI=1S/C19H19N7O2S/c1-13-15(29-18(22-13)25-10-5-6-11-25)17(27)21-9-12-26-19(28)24(2)16(23-26)14-7-3-4-8-20-14/h3-8,10-11H,9,12H2,1-2H3,(H,21,27)
InChIKeyQOKCLLCLFMMBRA-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.63
Rot. Bonds6

About 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 71793303) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID71793303
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O
InChIInChI=1S/C19H19N7O2S/c1-13-15(29-18(22-13)25-10-5-6-11-25)17(27)21-9-12-26-19(28)24(2)16(23-26)14-7-3-4-8-20-14/h3-8,10-11H,9,12H2,1-2H3,(H,21,27)
InChIKeyQOKCLLCLFMMBRA-UHFFFAOYSA-N
XLogP1.63
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 71793303) is 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCCn1nc(-c2ccccn2)n(C)c1=O.
What is the InChIKey of 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QOKCLLCLFMMBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-13-15(29-18(22-13)25-10-5-6-11-25)17(27)21-9-12-26-19(28)24(2)16(23-26)14-7-3-4-8-20-14/h3-8,10-11H,9,12H2,1-2H3,(H,21,27).
What are the key properties of 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71793303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).