1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol

C13H12ClN3OS — CID 107124921

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(CC(O)c2ncc(Cl)s2)c2ccccc21
InChIInChI=1S/C13H12ClN3OS/c1-17-10-5-3-2-4-8(10)9(16-17)6-11(18)13-15-7-12(14)19-13/h2-5,7,11,18H,6H2,1H3
InChIKeyBQQKHTUODNCUAY-UHFFFAOYSA-N
MW293.78 g/mol
LogP2.96
Rot. Bonds3

About 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol

1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol (PubChem CID 107124921) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol
PubChem CID107124921
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol
SMILESCn1nc(CC(O)c2ncc(Cl)s2)c2ccccc21
InChIInChI=1S/C13H12ClN3OS/c1-17-10-5-3-2-4-8(10)9(16-17)6-11(18)13-15-7-12(14)19-13/h2-5,7,11,18H,6H2,1H3
InChIKeyBQQKHTUODNCUAY-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
CID 107125122
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107968554
1-(3-methylfuran-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 104800718
1-(6-methoxypyridazin-3-yl)-2-(1-methylindazol-3-yl)ethanol
CID 103373474
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
CID 107124923
2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol (CID 107124921) is 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol is Cn1nc(CC(O)c2ncc(Cl)s2)c2ccccc21.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol?
The InChIKey is BQQKHTUODNCUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-17-10-5-3-2-4-8(10)9(16-17)6-11(18)13-15-7-12(14)19-13/h2-5,7,11,18H,6H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol?
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol has a molecular weight of 293.78 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol is sourced from PubChem (CID 107124921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).