5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine

C15H10Cl2N2OS — CID 88924571

IUPAC5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(Cl)c2)c(Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H10Cl2N2OS/c16-10-4-6-12(7-5-10)20-14-13(19-15(18)21-14)9-2-1-3-11(17)8-9/h1-8H,(H2,18,19)
InChIKeyMDZBPRSACMGQJN-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.49
Rot. Bonds3

About 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine

5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 88924571) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID88924571
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(Cl)c2)c(Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H10Cl2N2OS/c16-10-4-6-12(7-5-10)20-14-13(19-15(18)21-14)9-2-1-3-11(17)8-9/h1-8H,(H2,18,19)
InChIKeyMDZBPRSACMGQJN-UHFFFAOYSA-N
XLogP5.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 88566066
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
CID 82106545
2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700893
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812
6-(4-chlorophenoxy)pyridin-2-amine
CID 80652816

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine (CID 88924571) is 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2cccc(Cl)c2)c(Oc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is MDZBPRSACMGQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-10-4-6-12(7-5-10)20-14-13(19-15(18)21-14)9-2-1-3-11(17)8-9/h1-8H,(H2,18,19).
What are the key properties of 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine?
5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 337.23 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 88924571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).