N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide

C9H11N5OS — CID 31515523

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cnc(NC(=O)CCn2cncn2)s1
InChIInChI=1S/C9H11N5OS/c1-7-4-11-9(16-7)13-8(15)2-3-14-6-10-5-12-14/h4-6H,2-3H2,1H3,(H,11,13,15)
InChIKeyGSQITUWKTXVSNS-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.07
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31515523) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID31515523
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1cnc(NC(=O)CCn2cncn2)s1
InChIInChI=1S/C9H11N5OS/c1-7-4-11-9(16-7)13-8(15)2-3-14-6-10-5-12-14/h4-6H,2-3H2,1H3,(H,11,13,15)
InChIKeyGSQITUWKTXVSNS-UHFFFAOYSA-N
XLogP1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 31515523) is N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide is Cc1cnc(NC(=O)CCn2cncn2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GSQITUWKTXVSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-7-4-11-9(16-7)13-8(15)2-3-14-6-10-5-12-14/h4-6H,2-3H2,1H3,(H,11,13,15).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 237.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31515523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).