4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole

C11H10ClNS2 — CID 19194234

IUPAC4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
SMILESCCSc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H10ClNS2/c1-2-14-11-13-10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyKHOQABOTCCTQKL-UHFFFAOYSA-N
MW255.80 g/mol
LogP4.58
Rot. Bonds3

About 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole

4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole (PubChem CID 19194234) has the molecular formula C11H10ClNS2 and a molecular weight of 255.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
PubChem CID19194234
Molecular FormulaC11H10ClNS2
Molecular Weight255.80 g/mol
Exact Mass254.99
IUPAC Name4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
SMILESCCSc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H10ClNS2/c1-2-14-11-13-10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3
InChIKeyKHOQABOTCCTQKL-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-5-propyl-1,3,4-thiadiazole
CID 18708917
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3951363
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4211835
2-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 112778299
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 3223886
N-(2,5-dichlorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5002916
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole (CID 19194234) is 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole is CCSc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole?
The InChIKey is KHOQABOTCCTQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS2/c1-2-14-11-13-10(7-15-11)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole?
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole has a molecular weight of 255.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole is sourced from PubChem (CID 19194234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).