4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole

C7H10ClNOS — CID 58018000

IUPAC4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(OCCCl)c(C)s1
InChIInChI=1S/C7H10ClNOS/c1-5-7(10-4-3-8)9-6(2)11-5/h3-4H2,1-2H3
InChIKeyKVVOYWXJIWCYTK-UHFFFAOYSA-N
MW191.68 g/mol
LogP2.38
Rot. Bonds3

About 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole

4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole (PubChem CID 58018000) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole
PubChem CID58018000
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(OCCCl)c(C)s1
InChIInChI=1S/C7H10ClNOS/c1-5-7(10-4-3-8)9-6(2)11-5/h3-4H2,1-2H3
InChIKeyKVVOYWXJIWCYTK-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
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-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole (CID 58018000) is 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole is Cc1nc(OCCCl)c(C)s1.
What is the InChIKey of 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole?
The InChIKey is KVVOYWXJIWCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-5-7(10-4-3-8)9-6(2)11-5/h3-4H2,1-2H3.
What are the key properties of 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole?
4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole has a molecular weight of 191.68 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 58018000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).