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

C9H11N5OS — CID 136524359

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cn[nH]n2)cs1
InChIInChI=1S/C9H11N5OS/c1-5(8-4-16-6(2)12-8)11-9(15)7-3-10-14-13-7/h3-5H,1-2H3,(H,11,15)(H,10,13,14)
InChIKeyWZEODZGHFKISSD-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.06
Rot. Bonds3

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 136524359) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID136524359
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCc1nc(C(C)NC(=O)c2cn[nH]n2)cs1
InChIInChI=1S/C9H11N5OS/c1-5(8-4-16-6(2)12-8)11-9(15)7-3-10-14-13-7/h3-5H,1-2H3,(H,11,15)(H,10,13,14)
InChIKeyWZEODZGHFKISSD-UHFFFAOYSA-N
XLogP1.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide
CID 78945961
2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 78929265
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108737160
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 56894427
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108737152
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
CID 112732798
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide (CID 136524359) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide is Cc1nc(C(C)NC(=O)c2cn[nH]n2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is WZEODZGHFKISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5(8-4-16-6(2)12-8)11-9(15)7-3-10-14-13-7/h3-5H,1-2H3,(H,11,15)(H,10,13,14).
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 136524359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).