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

C14H13N3OS — CID 53014707

IUPACN-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide
SMILESCn1nc(CNC(=O)c2ccsc2)c2ccccc21
InChIInChI=1S/C14H13N3OS/c1-17-13-5-3-2-4-11(13)12(16-17)8-15-14(18)10-6-7-19-9-10/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyLQPXRCQXZRCXQY-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.56
Rot. Bonds3

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

N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 53014707) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide
PubChem CID53014707
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide
SMILESCn1nc(CNC(=O)c2ccsc2)c2ccccc21
InChIInChI=1S/C14H13N3OS/c1-17-13-5-3-2-4-11(13)12(16-17)8-15-14(18)10-6-7-19-9-10/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyLQPXRCQXZRCXQY-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide (CID 53014707) is N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide is Cn1nc(CNC(=O)c2ccsc2)c2ccccc21.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is LQPXRCQXZRCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-13-5-3-2-4-11(13)12(16-17)8-15-14(18)10-6-7-19-9-10/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-[(1-methylindazol-3-yl)methyl]thiophene-3-carboxamide?
N-[(1-methylindazol-3-yl)methyl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 53014707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).