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

C9H11N5OS — CID 103716600

IUPAC2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)c2ncn[nH]2)s1
InChIInChI=1S/C9H11N5OS/c1-5(8-11-4-12-14-8)13-9(15)7-3-10-6(2)16-7/h3-5H,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyIDCFSFYNEVZMHB-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.06
Rot. Bonds3

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

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 103716600) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID103716600
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)c2ncn[nH]2)s1
InChIInChI=1S/C9H11N5OS/c1-5(8-11-4-12-14-8)13-9(15)7-3-10-6(2)16-7/h3-5H,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyIDCFSFYNEVZMHB-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

5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538
N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
CID 104919668
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106283542
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106281034
methyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106284038
5-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106283130
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 103716600) is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC(C)c2ncn[nH]2)s1.
What is the InChIKey of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IDCFSFYNEVZMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5(8-11-4-12-14-8)13-9(15)7-3-10-6(2)16-7/h3-5H,1-2H3,(H,13,15)(H,11,12,14).
What are the key properties of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-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 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103716600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).