2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole

C14H11ClN2S2 — CID 175190695

IUPAC2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(-c2ncsc2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H11ClN2S2/c1-2-11-7-18-14(17-11)12-13(19-8-16-12)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeySRACDKQTXSYBDG-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.15
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole

2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole (PubChem CID 175190695) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole
PubChem CID175190695
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole
SMILESCCc1csc(-c2ncsc2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H11ClN2S2/c1-2-11-7-18-14(17-11)12-13(19-8-16-12)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeySRACDKQTXSYBDG-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
[5-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol
CID 170459033
2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
CID 97058354
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
2-(4-chlorophenyl)-4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 46083230
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole (CID 175190695) is 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole is CCc1csc(-c2ncsc2-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole?
The InChIKey is SRACDKQTXSYBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c1-2-11-7-18-14(17-11)12-13(19-8-16-12)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole?
2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole has a molecular weight of 306.84 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-1,3-thiazole is sourced from PubChem (CID 175190695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).