N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide

C14H13N3OS — CID 61242487

IUPACN-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C14H13N3OS/c1-9-2-5-12(19-9)8-15-14(18)10-3-4-11-7-16-17-13(11)6-10/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKJBADQFABNVINZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide (PubChem CID 61242487) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
PubChem CID61242487
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C14H13N3OS/c1-9-2-5-12(19-9)8-15-14(18)10-3-4-11-7-16-17-13(11)6-10/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyKJBADQFABNVINZ-UHFFFAOYSA-N
XLogP2.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[(2-bromophenyl)methyl]-1H-indazole-6-carboxamide
CID 62062398
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide (CID 61242487) is N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3cn[nH]c3c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide?
The InChIKey is KJBADQFABNVINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-2-5-12(19-9)8-15-14(18)10-3-4-11-7-16-17-13(11)6-10/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 61242487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).