2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole

C12H11Cl2NOS — CID 174418105

IUPAC2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole
SMILESCCCOc1sc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2NOS/c1-2-7-16-11-10(15-12(14)17-11)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChIKeyHMXXVKRHUNTVSZ-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.91
Rot. Bonds4

About 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole

2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole (PubChem CID 174418105) has the molecular formula C12H11Cl2NOS and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole
PubChem CID174418105
Molecular FormulaC12H11Cl2NOS
Molecular Weight288.20 g/mol
Exact Mass286.99
IUPAC Name2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole
SMILESCCCOc1sc(Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2NOS/c1-2-7-16-11-10(15-12(14)17-11)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChIKeyHMXXVKRHUNTVSZ-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole (CID 174418105) is 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole is CCCOc1sc(Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole?
The InChIKey is HMXXVKRHUNTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NOS/c1-2-7-16-11-10(15-12(14)17-11)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole?
2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole has a molecular weight of 288.20 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole is sourced from PubChem (CID 174418105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).