2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

C10H12N6O2S — CID 64530809

IUPAC2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCCc2ncn[nH]2)cs1
InChIInChI=1S/C10H12N6O2S/c1-6(17)14-10-15-7(4-19-10)9(18)11-3-2-8-12-5-13-16-8/h4-5H,2-3H2,1H3,(H,11,18)(H,12,13,16)(H,14,15,17)
InChIKeyZGLSQSCPUGVVNB-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.19
Rot. Bonds5

About 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 64530809) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID64530809
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCCc2ncn[nH]2)cs1
InChIInChI=1S/C10H12N6O2S/c1-6(17)14-10-15-7(4-19-10)9(18)11-3-2-8-12-5-13-16-8/h4-5H,2-3H2,1H3,(H,11,18)(H,12,13,16)(H,14,15,17)
InChIKeyZGLSQSCPUGVVNB-UHFFFAOYSA-N
XLogP0.19
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 64532387
ethyl 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 80569631
2-acetamido-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 55024347
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-chloro-6-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 114219584
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 64523559
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 64532003
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 64523985

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 64530809) is 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NCCc2ncn[nH]2)cs1.
What is the InChIKey of 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZGLSQSCPUGVVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-6(17)14-10-15-7(4-19-10)9(18)11-3-2-8-12-5-13-16-8/h4-5H,2-3H2,1H3,(H,11,18)(H,12,13,16)(H,14,15,17).
What are the key properties of 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 64530809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).