N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide

C15H15N5OS — CID 119060939

IUPACN-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCCc1nccs1)c1ccccc1-n1cnnc1
InChIInChI=1S/C15H15N5OS/c21-15(17-7-3-6-14-16-8-9-22-14)12-4-1-2-5-13(12)20-10-18-19-11-20/h1-2,4-5,8-11H,3,6-7H2,(H,17,21)
InChIKeyCIXDMJNMBLGFDI-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.09
Rot. Bonds6

About N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide

N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 119060939) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID119060939
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCCc1nccs1)c1ccccc1-n1cnnc1
InChIInChI=1S/C15H15N5OS/c21-15(17-7-3-6-14-16-8-9-22-14)12-4-1-2-5-13(12)20-10-18-19-11-20/h1-2,4-5,8-11H,3,6-7H2,(H,17,21)
InChIKeyCIXDMJNMBLGFDI-UHFFFAOYSA-N
XLogP2.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enoyl-N-[3-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420964
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
2-(1,2,4-triazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119060222
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
CID 71704096
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
(2R)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129943
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 122566145

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide (CID 119060939) is N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide is O=C(NCCCc1nccs1)c1ccccc1-n1cnnc1.
What is the InChIKey of N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is CIXDMJNMBLGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(17-7-3-6-14-16-8-9-22-14)12-4-1-2-5-13(12)20-10-18-19-11-20/h1-2,4-5,8-11H,3,6-7H2,(H,17,21).
What are the key properties of N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide?
N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 313.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-2-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 119060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).