N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C9H11N5OS — CID 124512508

IUPACN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1csc([C@H](C)NC(=O)c2ncn[nH]2)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-16-9(12-5)6(2)13-8(15)7-10-4-11-14-7/h3-4,6H,1-2H3,(H,13,15)(H,10,11,14)/t6-/m0/s1
InChIKeyCSBGUCYSJNZQKE-LURJTMIESA-N
MW237.29 g/mol
LogP1.06
Rot. Bonds3

About N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 124512508) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID124512508
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1csc([C@H](C)NC(=O)c2ncn[nH]2)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-16-9(12-5)6(2)13-8(15)7-10-4-11-14-7/h3-4,6H,1-2H3,(H,13,15)(H,10,11,14)/t6-/m0/s1
InChIKeyCSBGUCYSJNZQKE-LURJTMIESA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 124512508) is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is Cc1csc([C@H](C)NC(=O)c2ncn[nH]2)n1.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CSBGUCYSJNZQKE-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-3-16-9(12-5)6(2)13-8(15)7-10-4-11-14-7/h3-4,6H,1-2H3,(H,13,15)(H,10,11,14)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-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 N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 124512508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).