[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine

C12H12N4S — CID 112644531

IUPAC[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
SMILESNCc1nn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C12H12N4S/c13-5-11-10-3-1-2-4-12(10)16(15-11)7-9-6-14-8-17-9/h1-4,6,8H,5,7,13H2
InChIKeyOMPQZICGEOQUQW-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.00
Rot. Bonds3

About [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine

[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine (PubChem CID 112644531) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
PubChem CID112644531
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
SMILESNCc1nn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C12H12N4S/c13-5-11-10-3-1-2-4-12(10)16(15-11)7-9-6-14-8-17-9/h1-4,6,8H,5,7,13H2
InChIKeyOMPQZICGEOQUQW-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]butan-1-amine
CID 115979486
2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
CID 112641646
[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
CID 82925613
[1-[(2-chloro-3-fluorophenyl)methyl]indazol-3-yl]methanamine
CID 115984346
2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618638
[1-(4,4-dimethylpentyl)indazol-3-yl]methanamine
CID 114210297
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702
5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 112644464
1-[(4-bromothiophen-2-yl)methyl]indazol-3-amine
CID 55104056
[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine?
The IUPAC name of [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine (CID 112644531) is [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine.
What is the SMILES notation for [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine?
The canonical SMILES for [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine is NCc1nn(Cc2cncs2)c2ccccc12.
What is the InChIKey of [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine?
The InChIKey is OMPQZICGEOQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-5-11-10-3-1-2-4-12(10)16(15-11)7-9-6-14-8-17-9/h1-4,6,8H,5,7,13H2.
What are the key properties of [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine?
[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine has a molecular weight of 244.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine is sourced from PubChem (CID 112644531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).