N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide

C11H14N4OS — CID 125446952

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccsc1)c1ncnn1C
InChIInChI=1S/C11H14N4OS/c1-3-9(10-12-7-13-15(10)2)14-11(16)8-4-5-17-6-8/h4-7,9H,3H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyKQJRDRLOQJZPQX-VIFPVBQESA-N
MW250.33 g/mol
LogP1.76
Rot. Bonds4

About N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide (PubChem CID 125446952) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
PubChem CID125446952
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccsc1)c1ncnn1C
InChIInChI=1S/C11H14N4OS/c1-3-9(10-12-7-13-15(10)2)14-11(16)8-4-5-17-6-8/h4-7,9H,3H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyKQJRDRLOQJZPQX-VIFPVBQESA-N
XLogP1.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125157786
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 122557720
4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125438565
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 91784989
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291
2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122564046

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide (CID 125446952) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide is CC[C@H](NC(=O)c1ccsc1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
The InChIKey is KQJRDRLOQJZPQX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-9(10-12-7-13-15(10)2)14-11(16)8-4-5-17-6-8/h4-7,9H,3H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 125446952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).