[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol

C8H13ClN2OS2 — CID 80692339

IUPAC[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCN(C)CCSc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H13ClN2OS2/c1-11(2)3-4-13-8-10-7(9)6(5-12)14-8/h12H,3-5H2,1-2H3
InChIKeyIYZQVHWRMKYOML-UHFFFAOYSA-N
MW252.79 g/mol
LogP1.94
Rot. Bonds5

About [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol (PubChem CID 80692339) has the molecular formula C8H13ClN2OS2 and a molecular weight of 252.79 g/mol. Its IUPAC name is [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol
PubChem CID80692339
Molecular FormulaC8H13ClN2OS2
Molecular Weight252.79 g/mol
Exact Mass252.02
IUPAC Name[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCN(C)CCSc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H13ClN2OS2/c1-11(2)3-4-13-8-10-7(9)6(5-12)14-8/h12H,3-5H2,1-2H3
InChIKeyIYZQVHWRMKYOML-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol (CID 80692339) is [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol is CN(C)CCSc1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is IYZQVHWRMKYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2OS2/c1-11(2)3-4-13-8-10-7(9)6(5-12)14-8/h12H,3-5H2,1-2H3.
What are the key properties of [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 252.79 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).