4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine

C15H11ClN2OS — CID 11201263

IUPAC4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C15H11ClN2OS/c16-11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-20-15(17)18-14/h1-9H,(H2,17,18)
InChIKeyGQIAWKVNYAQJMJ-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.84
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine

4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 11201263) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID11201263
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C15H11ClN2OS/c16-11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-20-15(17)18-14/h1-9H,(H2,17,18)
InChIKeyGQIAWKVNYAQJMJ-UHFFFAOYSA-N
XLogP4.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
CID 145704648
5-Methyl-4-(4-phenoxy-phenyl)-thiazol-2-ylamine
CID 828522
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
4-(5-Chloro-2-methoxy-phenyl)-thiazol-2-ylamine
CID 2063560
4-(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 2986747
4-(4-Trifluoromethoxyphenyl)thiazol-2-ylamine
CID 2737731

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine (CID 11201263) is 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GQIAWKVNYAQJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14-9-20-15(17)18-14/h1-9H,(H2,17,18).
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine?
4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 302.79 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11201263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).