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

C18H10Cl2N2S2 — CID 633635

IUPAC4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C18H10Cl2N2S2/c19-13-5-1-11(2-6-13)15-9-23-17(21-15)18-22-16(10-24-18)12-3-7-14(20)8-4-12/h1-10H
InChIKeyJWOACAKORFMHDO-UHFFFAOYSA-N
MW389.33 g/mol
LogP6.91
Rot. Bonds3

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

4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole (PubChem CID 633635) has the molecular formula C18H10Cl2N2S2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
PubChem CID633635
Molecular FormulaC18H10Cl2N2S2
Molecular Weight389.33 g/mol
Exact Mass387.97
IUPAC Name4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C18H10Cl2N2S2/c19-13-5-1-11(2-6-13)15-9-23-17(21-15)18-22-16(10-24-18)12-3-7-14(20)8-4-12/h1-10H
InChIKeyJWOACAKORFMHDO-UHFFFAOYSA-N
XLogP6.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole (CID 633635) is 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole is Clc1ccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole?
The InChIKey is JWOACAKORFMHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2S2/c19-13-5-1-11(2-6-13)15-9-23-17(21-15)18-22-16(10-24-18)12-3-7-14(20)8-4-12/h1-10H.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole has a molecular weight of 389.33 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 633635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).