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

C4H4ClNOS — CID 84649350

IUPAC(4-chloro-1,2-thiazol-5-yl)methanol
SMILESOCc1sncc1Cl
InChIInChI=1S/C4H4ClNOS/c5-3-1-6-8-4(3)2-7/h1,7H,2H2
InChIKeyFWIYXJTVRLRGGA-UHFFFAOYSA-N
MW149.60 g/mol
LogP1.29
Rot. Bonds1

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

(4-chloro-1,2-thiazol-5-yl)methanol (PubChem CID 84649350) has the molecular formula C4H4ClNOS and a molecular weight of 149.60 g/mol. Its IUPAC name is (4-chloro-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1,2-thiazol-5-yl)methanol
PubChem CID84649350
Molecular FormulaC4H4ClNOS
Molecular Weight149.60 g/mol
Exact Mass148.97
IUPAC Name(4-chloro-1,2-thiazol-5-yl)methanol
SMILESOCc1sncc1Cl
InChIInChI=1S/C4H4ClNOS/c5-3-1-6-8-4(3)2-7/h1,7H,2H2
InChIKeyFWIYXJTVRLRGGA-UHFFFAOYSA-N
XLogP1.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-chloro-1,2-thiazol-5-yl)methanol (CID 84649350) is (4-chloro-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-1,2-thiazol-5-yl)methanol is OCc1sncc1Cl.
What is the InChIKey of (4-chloro-1,2-thiazol-5-yl)methanol?
The InChIKey is FWIYXJTVRLRGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNOS/c5-3-1-6-8-4(3)2-7/h1,7H,2H2.
What are the key properties of (4-chloro-1,2-thiazol-5-yl)methanol?
(4-chloro-1,2-thiazol-5-yl)methanol has a molecular weight of 149.60 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 84649350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).