2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole

C9H12ClNO2S — CID 79763982

IUPAC2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCC2CCOC2)s1
InChIInChI=1S/C9H12ClNO2S/c10-9-11-3-8(14-9)6-13-5-7-1-2-12-4-7/h3,7H,1-2,4-6H2
InChIKeyPCDCXDMTMHEOGO-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.35
Rot. Bonds4

About 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole

2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole (PubChem CID 79763982) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole
PubChem CID79763982
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCC2CCOC2)s1
InChIInChI=1S/C9H12ClNO2S/c10-9-11-3-8(14-9)6-13-5-7-1-2-12-4-7/h3,7H,1-2,4-6H2
InChIKeyPCDCXDMTMHEOGO-UHFFFAOYSA-N
XLogP2.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole (CID 79763982) is 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole is Clc1ncc(COCC2CCOC2)s1.
What is the InChIKey of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole?
The InChIKey is PCDCXDMTMHEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c10-9-11-3-8(14-9)6-13-5-7-1-2-12-4-7/h3,7H,1-2,4-6H2.
What are the key properties of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole?
2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole has a molecular weight of 233.72 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79763982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).