N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide

C14H13N3OS — CID 53014712

IUPACN-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCn1nc(CNC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C14H13N3OS/c1-17-12-6-3-2-5-10(12)11(16-17)9-15-14(18)13-7-4-8-19-13/h2-8H,9H2,1H3,(H,15,18)
InChIKeySMXXZAHHIGJZHQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.56
Rot. Bonds3

About N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide

N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 53014712) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID53014712
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCn1nc(CNC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C14H13N3OS/c1-17-12-6-3-2-5-10(12)11(16-17)9-15-14(18)13-7-4-8-19-13/h2-8H,9H2,1H3,(H,15,18)
InChIKeySMXXZAHHIGJZHQ-UHFFFAOYSA-N
XLogP2.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 66857424
1-Methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide
CID 118715045
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
N-[2-(2-methylindol-1-yl)ethyl]thiophene-2-carboxamide
CID 4349596
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 164619960
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophenecarboxamide
CID 46916321
N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 66778916
N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062158
N-(2-fluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062183

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide (CID 53014712) is N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide is Cn1nc(CNC(=O)c2cccs2)c2ccccc21.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is SMXXZAHHIGJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-12-6-3-2-5-10(12)11(16-17)9-15-14(18)13-7-4-8-19-13/h2-8H,9H2,1H3,(H,15,18).
What are the key properties of N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide?
N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53014712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).