5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide

C17H17N5O2S — CID 43071036

IUPAC5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)s1
InChIInChI=1S/C17H17N5O2S/c1-11-3-8-15(25-11)17(24)21-14-6-4-13(5-7-14)20-16(23)12(2)22-10-18-9-19-22/h3-10,12H,1-2H3,(H,20,23)(H,21,24)
InChIKeyBSMRUZGMUCTXPB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.10
Rot. Bonds5

About 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide

5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 43071036) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
PubChem CID43071036
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)s1
InChIInChI=1S/C17H17N5O2S/c1-11-3-8-15(25-11)17(24)21-14-6-4-13(5-7-14)20-16(23)12(2)22-10-18-9-19-22/h3-10,12H,1-2H3,(H,20,23)(H,21,24)
InChIKeyBSMRUZGMUCTXPB-UHFFFAOYSA-N
XLogP3.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46403224
N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55621447
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
2,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]quinoxaline-6-carboxamide
CID 55652859
N-[4-[[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 31919619
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394
6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
CID 43071048
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide (CID 43071036) is 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)s1.
What is the InChIKey of 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is BSMRUZGMUCTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11-3-8-15(25-11)17(24)21-14-6-4-13(5-7-14)20-16(23)12(2)22-10-18-9-19-22/h3-10,12H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43071036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).