N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide

C8H9N5OS — CID 78945961

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1nccs1
InChIInChI=1S/C8H9N5OS/c1-5(8-9-2-3-15-8)11-7(14)6-4-10-13-12-6/h2-5H,1H3,(H,11,14)(H,10,12,13)
InChIKeyNPOMZCNQNOYHPZ-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.75
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide

N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 78945961) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID78945961
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1nccs1
InChIInChI=1S/C8H9N5OS/c1-5(8-9-2-3-15-8)11-7(14)6-4-10-13-12-6/h2-5H,1H3,(H,11,14)(H,10,12,13)
InChIKeyNPOMZCNQNOYHPZ-UHFFFAOYSA-N
XLogP0.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 107257634
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 136524359
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846
(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 78929265
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 95317065
N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
CID 112732798
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide (CID 78945961) is N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide is CC(NC(=O)c1cn[nH]n1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is NPOMZCNQNOYHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5(8-9-2-3-15-8)11-7(14)6-4-10-13-12-6/h2-5H,1H3,(H,11,14)(H,10,12,13).
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide?
N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78945961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).