N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide

C12H10N4OS — CID 62905804

IUPACN-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCc1nccs1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H10N4OS/c17-12(14-7-11-13-3-4-18-11)8-1-2-9-6-15-16-10(9)5-8/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyZBZJPVLXZCVGLQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.95
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide

N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide (PubChem CID 62905804) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
PubChem CID62905804
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCc1nccs1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H10N4OS/c17-12(14-7-11-13-3-4-18-11)8-1-2-9-6-15-16-10(9)5-8/h1-6H,7H2,(H,14,17)(H,15,16)
InChIKeyZBZJPVLXZCVGLQ-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
N-[(2-bromophenyl)methyl]-1H-indazole-6-carboxamide
CID 62062398
N-[(2-methoxy-4-pyridinyl)methyl]-1H-indazole-6-carboxamide
CID 60721835
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
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
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide (CID 62905804) is N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide is O=C(NCc1nccs1)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide?
The InChIKey is ZBZJPVLXZCVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-12(14-7-11-13-3-4-18-11)8-1-2-9-6-15-16-10(9)5-8/h1-6H,7H2,(H,14,17)(H,15,16).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide?
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 62905804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).