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

C12H16N4OS — CID 125157786

IUPACN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccsc1)c1ncnn1C
InChIInChI=1S/C12H16N4OS/c1-8(2)10(11-13-7-14-16(11)3)15-12(17)9-4-5-18-6-9/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyVGXWOUFAZSFZJW-JTQLQIEISA-N
MW264.35 g/mol
LogP2.00
Rot. Bonds4

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

N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide (PubChem CID 125157786) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
PubChem CID125157786
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccsc1)c1ncnn1C
InChIInChI=1S/C12H16N4OS/c1-8(2)10(11-13-7-14-16(11)3)15-12(17)9-4-5-18-6-9/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyVGXWOUFAZSFZJW-JTQLQIEISA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.00
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)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 126440387
5-fluoro-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442541
5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442540
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157750
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
CID 118789621
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 126449011
2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125178271
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide
CID 126450378

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide (CID 125157786) is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide is CC(C)[C@H](NC(=O)c1ccsc1)c1ncnn1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
The InChIKey is VGXWOUFAZSFZJW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)10(11-13-7-14-16(11)3)15-12(17)9-4-5-18-6-9/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide?
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 125157786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).