4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine

C25H18ClN3OS2 — CID 3051948

IUPAC4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(-c3ccc(Nc4nc(-c5ccc(Cl)cc5)cs4)cc3)cs2)cc1
InChIInChI=1S/C25H18ClN3OS2/c1-30-21-12-6-18(7-13-21)24-28-22(14-31-24)17-4-10-20(11-5-17)27-25-29-23(15-32-25)16-2-8-19(26)9-3-16/h2-15H,1H3,(H,27,29)
InChIKeyWBDNEBWSNXUBHX-UHFFFAOYSA-N
MW476.03 g/mol
LogP8.01
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 3051948) has the molecular formula C25H18ClN3OS2 and a molecular weight of 476.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID3051948
Molecular FormulaC25H18ClN3OS2
Molecular Weight476.03 g/mol
Exact Mass475.06
IUPAC Name4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(-c3ccc(Nc4nc(-c5ccc(Cl)cc5)cs4)cc3)cs2)cc1
InChIInChI=1S/C25H18ClN3OS2/c1-30-21-12-6-18(7-13-21)24-28-22(14-31-24)17-4-10-20(11-5-17)27-25-29-23(15-32-25)16-2-8-19(26)9-3-16/h2-15H,1H3,(H,27,29)
InChIKeyWBDNEBWSNXUBHX-UHFFFAOYSA-N
XLogP8.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.03
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine (CID 3051948) is 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine is COc1ccc(-c2nc(-c3ccc(Nc4nc(-c5ccc(Cl)cc5)cs4)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is WBDNEBWSNXUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3OS2/c1-30-21-12-6-18(7-13-21)24-28-22(14-31-24)17-4-10-20(11-5-17)27-25-29-23(15-32-25)16-2-8-19(26)9-3-16/h2-15H,1H3,(H,27,29).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 476.03 g/mol, XLogP of 8.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 3051948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).