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

C18H16N8OS — CID 154821426

IUPAC4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C18H16N8OS/c1-2-13-14(28-18(25-13)15-20-7-4-8-21-15)17(27)23-9-12-5-3-6-22-16(12)26-11-19-10-24-26/h3-8,10-11H,2,9H2,1H3,(H,23,27)
InChIKeyXBMCLVFQIPWIGG-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.07
Rot. Bonds6

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

4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 154821426) has the molecular formula C18H16N8OS and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID154821426
Molecular FormulaC18H16N8OS
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C18H16N8OS/c1-2-13-14(28-18(25-13)15-20-7-4-8-21-15)17(27)23-9-12-5-3-6-22-16(12)26-11-19-10-24-26/h3-8,10-11H,2,9H2,1H3,(H,23,27)
InChIKeyXBMCLVFQIPWIGG-UHFFFAOYSA-N
XLogP2.07
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55840655
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570009
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154819196
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 47036749
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
1-[2-(4-methoxyphenoxy)ethyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55744071
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580049

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (CID 154821426) is 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XBMCLVFQIPWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8OS/c1-2-13-14(28-18(25-13)15-20-7-4-8-21-15)17(27)23-9-12-5-3-6-22-16(12)26-11-19-10-24-26/h3-8,10-11H,2,9H2,1H3,(H,23,27).
What are the key properties of 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154821426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).