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

C4H4ClNOS — CID 2763180

IUPAC(2-chloro-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(Cl)s1
InChIInChI=1S/C4H4ClNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChIKeyPEOOQVDIOJQJHW-UHFFFAOYSA-N
MW149.60 g/mol
LogP1.29
Rot. Bonds1

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

(2-chloro-1,3-thiazol-5-yl)methanol (PubChem CID 2763180) has the molecular formula C4H4ClNOS and a molecular weight of 149.60 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methanol
PubChem CID2763180
Molecular FormulaC4H4ClNOS
Molecular Weight149.60 g/mol
Exact Mass148.97
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methanol
SMILESOCc1cnc(Cl)s1
InChIInChI=1S/C4H4ClNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChIKeyPEOOQVDIOJQJHW-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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Related Compounds

5-Thiazolylmethanol
CID 2763216
(2-Aminothiazol-5-yl)methanol
CID 11217273
(2-(Methoxymethyl)-1,3-thiazol-5-yl)methanol
CID 64980908
(2-Bromo-1,3-thiazol-5-yl)methanol
CID 7213124
(2-Isopropylthiazol-5-yl)methanol
CID 10820831
(2-Methyl-1,3-thiazol-5-yl)methanol
CID 12808792
(2-(Trifluoromethyl)-1,3-thiazol-5-yl)methanol
CID 15171127
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methanol (CID 2763180) is (2-chloro-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methanol is OCc1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methanol?
The InChIKey is PEOOQVDIOJQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methanol?
(2-chloro-1,3-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 (2-chloro-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 2763180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).