5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine

C11H9ClN4S — CID 171644777

IUPAC5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
SMILESClc1cc2cn[nH]c2cc1NCc1cscn1
InChIInChI=1S/C11H9ClN4S/c12-9-1-7-3-15-16-10(7)2-11(9)13-4-8-5-17-6-14-8/h1-3,5-6,13H,4H2,(H,15,16)
InChIKeyUOLQRXLEQAAOHK-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine

5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine (PubChem CID 171644777) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
PubChem CID171644777
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
SMILESClc1cc2cn[nH]c2cc1NCc1cscn1
InChIInChI=1S/C11H9ClN4S/c12-9-1-7-3-15-16-10(7)2-11(9)13-4-8-5-17-6-14-8/h1-3,5-6,13H,4H2,(H,15,16)
InChIKeyUOLQRXLEQAAOHK-UHFFFAOYSA-N
XLogP3.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
CID 60696868
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol
CID 155381577
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 168582775
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 83081963

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine?
The IUPAC name of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine (CID 171644777) is 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine is Clc1cc2cn[nH]c2cc1NCc1cscn1.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine?
The InChIKey is UOLQRXLEQAAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-9-1-7-3-15-16-10(7)2-11(9)13-4-8-5-17-6-14-8/h1-3,5-6,13H,4H2,(H,15,16).
What are the key properties of 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine?
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine has a molecular weight of 264.74 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine is sourced from PubChem (CID 171644777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).