2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide

C15H12Cl2N4OS — CID 51199209

IUPAC2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1cc(Cl)sc1Cl)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H12Cl2N4OS/c1-9(20-15(22)12-6-13(16)23-14(12)17)10-2-4-11(5-3-10)21-8-18-7-19-21/h2-9H,1H3,(H,20,22)
InChIKeyHUXLYLLRJGFTGD-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.13
Rot. Bonds4

About 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide

2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide (PubChem CID 51199209) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
PubChem CID51199209
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1cc(Cl)sc1Cl)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H12Cl2N4OS/c1-9(20-15(22)12-6-13(16)23-14(12)17)10-2-4-11(5-3-10)21-8-18-7-19-21/h2-9H,1H3,(H,20,22)
InChIKeyHUXLYLLRJGFTGD-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
2,4-dichloro-5-fluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 78810362
4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
CID 95151810
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445
2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574206
4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
CID 95784465
2,3-dichloro-N-[1-oxo-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]propan-2-yl]benzamide
CID 55741370

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide (CID 51199209) is 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide is CC(NC(=O)c1cc(Cl)sc1Cl)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
The InChIKey is HUXLYLLRJGFTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-9(20-15(22)12-6-13(16)23-14(12)17)10-2-4-11(5-3-10)21-8-18-7-19-21/h2-9H,1H3,(H,20,22).
What are the key properties of 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide has a molecular weight of 367.26 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 51199209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).