(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol

C10H8ClNOS — CID 90418369

IUPAC(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol
SMILESOCc1c(Cl)nsc1-c1ccccc1
InChIInChI=1S/C10H8ClNOS/c11-10-8(6-13)9(14-12-10)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyPHWIWIVZRPEBRI-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.96
Rot. Bonds2

About (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol

(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol (PubChem CID 90418369) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol
PubChem CID90418369
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol
SMILESOCc1c(Cl)nsc1-c1ccccc1
InChIInChI=1S/C10H8ClNOS/c11-10-8(6-13)9(14-12-10)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKeyPHWIWIVZRPEBRI-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol?
The IUPAC name of (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol (CID 90418369) is (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol?
The canonical SMILES for (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol is OCc1c(Cl)nsc1-c1ccccc1.
What is the InChIKey of (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol?
The InChIKey is PHWIWIVZRPEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-10-8(6-13)9(14-12-10)7-4-2-1-3-5-7/h1-5,13H,6H2.
What are the key properties of (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol?
(3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol has a molecular weight of 225.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-phenyl-1,2-thiazol-4-yl)methanol is sourced from PubChem (CID 90418369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).