N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide

C17H17N5O2S — CID 49423955

IUPACN-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccsc3)cc2)n[nH]1
InChIInChI=1S/C17H17N5O2S/c1-11-19-16(22-21-11)12-2-4-14(5-3-12)20-15(23)6-8-18-17(24)13-7-9-25-10-13/h2-5,7,9-10H,6,8H2,1H3,(H,18,24)(H,20,23)(H,19,21,22)
InChIKeySMZOTONLUFRBBV-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.60
Rot. Bonds6

About N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 49423955) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID49423955
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccsc3)cc2)n[nH]1
InChIInChI=1S/C17H17N5O2S/c1-11-19-16(22-21-11)12-2-4-14(5-3-12)20-15(23)6-8-18-17(24)13-7-9-25-10-13/h2-5,7,9-10H,6,8H2,1H3,(H,18,24)(H,20,23)(H,19,21,22)
InChIKeySMZOTONLUFRBBV-UHFFFAOYSA-N
XLogP2.60
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 30266946
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 64511381
4-chloro-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 31409970
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30276571
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide (CID 49423955) is N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide is Cc1nc(-c2ccc(NC(=O)CCNC(=O)c3ccsc3)cc2)n[nH]1.
What is the InChIKey of N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is SMZOTONLUFRBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11-19-16(22-21-11)12-2-4-14(5-3-12)20-15(23)6-8-18-17(24)13-7-9-25-10-13/h2-5,7,9-10H,6,8H2,1H3,(H,18,24)(H,20,23)(H,19,21,22).
What are the key properties of N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 49423955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).