2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol

C16H11Cl3N2OS — CID 91896638

IUPAC2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N2OS/c17-10-4-6-11(7-5-10)20-16-21-15(22)13(23-16)8-9-2-1-3-12(18)14(9)19/h1-7,22H,8H2,(H,20,21)
InChIKeyYQKFLWMILBZTQX-UHFFFAOYSA-N
MW385.70 g/mol
LogP6.14
Rot. Bonds4

About 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol

2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol (PubChem CID 91896638) has the molecular formula C16H11Cl3N2OS and a molecular weight of 385.70 g/mol. Its IUPAC name is 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol
PubChem CID91896638
Molecular FormulaC16H11Cl3N2OS
Molecular Weight385.70 g/mol
Exact Mass383.97
IUPAC Name2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N2OS/c17-10-4-6-11(7-5-10)20-16-21-15(22)13(23-16)8-9-2-1-3-12(18)14(9)19/h1-7,22H,8H2,(H,20,21)
InChIKeyYQKFLWMILBZTQX-UHFFFAOYSA-N
XLogP6.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol (CID 91896638) is 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol is Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol?
The InChIKey is YQKFLWMILBZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2OS/c17-10-4-6-11(7-5-10)20-16-21-15(22)13(23-16)8-9-2-1-3-12(18)14(9)19/h1-7,22H,8H2,(H,20,21).
What are the key properties of 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol?
2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol has a molecular weight of 385.70 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 91896638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).