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

C19H13ClN2OS2 — CID 20944680

IUPAC2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)cc1
InChIInChI=1S/C19H13ClN2OS2/c1-23-15-7-5-12(6-8-15)16-10-24-18(21-16)19-22-17(11-25-19)13-3-2-4-14(20)9-13/h2-11H,1H3
InChIKeyUUEJDGIGUCVFDW-UHFFFAOYSA-N
MW384.91 g/mol
LogP6.26
Rot. Bonds4

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

2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 20944680) has the molecular formula C19H13ClN2OS2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID20944680
Molecular FormulaC19H13ClN2OS2
Molecular Weight384.91 g/mol
Exact Mass384.02
IUPAC Name2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)cc1
InChIInChI=1S/C19H13ClN2OS2/c1-23-15-7-5-12(6-8-15)16-10-24-18(21-16)19-22-17(11-25-19)13-3-2-4-14(20)9-13/h2-11H,1H3
InChIKeyUUEJDGIGUCVFDW-UHFFFAOYSA-N
XLogP6.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 20944680) is 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(-c3nc(-c4cccc(Cl)c4)cs3)n2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is UUEJDGIGUCVFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS2/c1-23-15-7-5-12(6-8-15)16-10-24-18(21-16)19-22-17(11-25-19)13-3-2-4-14(20)9-13/h2-11H,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 384.91 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 20944680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).