[4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride

C5H7Cl2NOS — CID 21464457

IUPAC[4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride
SMILESCl.OCc1nc(CCl)cs1
InChIInChI=1S/C5H6ClNOS.ClH/c6-1-4-3-9-5(2-8)7-4;/h3,8H,1-2H2;1H
InChIKeyBHUXKKKIRPTVON-UHFFFAOYSA-N
MW200.09 g/mol
LogP1.80
Rot. Bonds2

About [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride

[4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride (PubChem CID 21464457) has the molecular formula C5H7Cl2NOS and a molecular weight of 200.09 g/mol. Its IUPAC name is [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride
PubChem CID21464457
Molecular FormulaC5H7Cl2NOS
Molecular Weight200.09 g/mol
Exact Mass198.96
IUPAC Name[4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride
SMILESCl.OCc1nc(CCl)cs1
InChIInChI=1S/C5H6ClNOS.ClH/c6-1-4-3-9-5(2-8)7-4;/h3,8H,1-2H2;1H
InChIKeyBHUXKKKIRPTVON-UHFFFAOYSA-N
XLogP1.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride?
The IUPAC name of [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride (CID 21464457) is [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride?
The canonical SMILES for [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride is Cl.OCc1nc(CCl)cs1.
What is the InChIKey of [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride?
The InChIKey is BHUXKKKIRPTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS.ClH/c6-1-4-3-9-5(2-8)7-4;/h3,8H,1-2H2;1H.
What are the key properties of [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride?
[4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride has a molecular weight of 200.09 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-1,3-thiazol-2-yl]methanol;hydrochloride is sourced from PubChem (CID 21464457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).