5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide

C15H14N4O2S — CID 166187982

IUPAC5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
SMILESCC(C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)c1cccs1
InChIInChI=1S/C15H14N4O2S/c1-8(12-3-2-6-22-12)15(21)17-9-4-5-11-10(7-9)13(14(16)20)19-18-11/h2-8H,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyRWDHAGYZJHXCNC-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.47
Rot. Bonds4

About 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide

5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide (PubChem CID 166187982) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
PubChem CID166187982
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide
SMILESCC(C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)c1cccs1
InChIInChI=1S/C15H14N4O2S/c1-8(12-3-2-6-22-12)15(21)17-9-4-5-11-10(7-9)13(14(16)20)19-18-11/h2-8H,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyRWDHAGYZJHXCNC-UHFFFAOYSA-N
XLogP2.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
CID 23571029
5-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-1H-indazole-3-carboxamide
CID 167878177
N-(3-carbamoyl-1H-indazol-5-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-6-carboxamide
CID 166348680
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
CID 124506480
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide
CID 134567176
5-N,5-N-dimethyl-1H-indazole-3,5-dicarboxamide
CID 145143152
4-bromo-5-propan-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 56564996
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-(thiadiazol-5-yl)-2-thiophen-2-ylpropanamide
CID 102562225

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide (CID 166187982) is 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide is CC(C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)c1cccs1.
What is the InChIKey of 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide?
The InChIKey is RWDHAGYZJHXCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8(12-3-2-6-22-12)15(21)17-9-4-5-11-10(7-9)13(14(16)20)19-18-11/h2-8H,1H3,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide?
5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylpropanoylamino)-1H-indazole-3-carboxamide is sourced from PubChem (CID 166187982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).