N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

C11H13N5O2S — CID 78927492

IUPACN-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1nc(NC(=O)CCNC(=O)c2ccsc2)n[nH]1
InChIInChI=1S/C11H13N5O2S/c1-7-13-11(16-15-7)14-9(17)2-4-12-10(18)8-3-5-19-6-8/h3,5-6H,2,4H2,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyHSMLXLCFTHVTEE-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.93
Rot. Bonds5

About N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 78927492) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID78927492
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC NameN-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1nc(NC(=O)CCNC(=O)c2ccsc2)n[nH]1
InChIInChI=1S/C11H13N5O2S/c1-7-13-11(16-15-7)14-9(17)2-4-12-10(18)8-3-5-19-6-8/h3,5-6H,2,4H2,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyHSMLXLCFTHVTEE-UHFFFAOYSA-N
XLogP0.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 78927492) is N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is Cc1nc(NC(=O)CCNC(=O)c2ccsc2)n[nH]1.
What is the InChIKey of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is HSMLXLCFTHVTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7-13-11(16-15-7)14-9(17)2-4-12-10(18)8-3-5-19-6-8/h3,5-6H,2,4H2,1H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 78927492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).