1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol

C9H8ClNOS2 — CID 112642016

IUPAC1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1cc(Cl)cs1
InChIInChI=1S/C9H8ClNOS2/c10-6-1-9(13-4-6)8(12)2-7-3-11-5-14-7/h1,3-5,8,12H,2H2
InChIKeyMYCWIRBZRUKYOW-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol

1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642016) has the molecular formula C9H8ClNOS2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642016
Molecular FormulaC9H8ClNOS2
Molecular Weight245.76 g/mol
Exact Mass244.97
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1cc(Cl)cs1
InChIInChI=1S/C9H8ClNOS2/c10-6-1-9(13-4-6)8(12)2-7-3-11-5-14-7/h1,3-5,8,12H,2H2
InChIKeyMYCWIRBZRUKYOW-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79427524
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 79427974
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123232
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830518
1-(4-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 82403069
1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 79426773
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol (CID 112642016) is 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is MYCWIRBZRUKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS2/c10-6-1-9(13-4-6)8(12)2-7-3-11-5-14-7/h1,3-5,8,12H,2H2.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 245.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112642016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).