N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide

C15H14N4OS — CID 97244375

IUPACN-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccsc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11(17-15(20)13-6-9-21-10-13)12-2-4-14(5-3-12)19-8-7-16-18-19/h2-11H,1H3,(H,17,20)/t11-/m1/s1
InChIKeyDSOBAKSMPGSZPQ-LLVKDONJSA-N
MW298.37 g/mol
LogP2.82
Rot. Bonds4

About N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide

N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide (PubChem CID 97244375) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
PubChem CID97244375
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccsc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11(17-15(20)13-6-9-21-10-13)12-2-4-14(5-3-12)19-8-7-16-18-19/h2-11H,1H3,(H,17,20)/t11-/m1/s1
InChIKeyDSOBAKSMPGSZPQ-LLVKDONJSA-N
XLogP2.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 97060214
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 97244358
6-methyl-2-oxo-N-[1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 71909355
6-methyl-2-oxo-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 97069718
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 75390249
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244364
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide (CID 97244375) is N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide is C[C@@H](NC(=O)c1ccsc1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
The InChIKey is DSOBAKSMPGSZPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11(17-15(20)13-6-9-21-10-13)12-2-4-14(5-3-12)19-8-7-16-18-19/h2-11H,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide?
N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 97244375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).