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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Related Compounds

2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918
4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
CID 21409060
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7677392
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
CID 167489516
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
(4-chlorophenyl)-methyl-dipropoxysilane
CID 151479399
2-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-(4-chlorophenyl)-5-methyl-1,3-thiazole
CID 46339240
3-(4-chlorophenyl)-2-propoxypyrido[1,2-a]pyrimidin-4-one
CID 24996910
2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489206
2-chloro-6-propoxynaphthalene
CID 125116367

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).