4-(3-anilinophenyl)-1,3-thiazol-2-amine

C15H13N3S — CID 155427302

IUPAC4-(3-anilinophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(Nc3ccccc3)c2)cs1
InChIInChI=1S/C15H13N3S/c16-15-18-14(10-19-15)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-10,17H,(H2,16,18)
InChIKeyBKKNJECJZDAAGL-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.14
Rot. Bonds3

About 4-(3-anilinophenyl)-1,3-thiazol-2-amine

4-(3-anilinophenyl)-1,3-thiazol-2-amine (PubChem CID 155427302) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(3-anilinophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-anilinophenyl)-1,3-thiazol-2-amine
PubChem CID155427302
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-(3-anilinophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(Nc3ccccc3)c2)cs1
InChIInChI=1S/C15H13N3S/c16-15-18-14(10-19-15)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-10,17H,(H2,16,18)
InChIKeyBKKNJECJZDAAGL-UHFFFAOYSA-N
XLogP4.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 28865303
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
N-phenyl-3-pyridin-4-ylaniline
CID 118505949
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
CID 161234714
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889793

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilinophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-anilinophenyl)-1,3-thiazol-2-amine (CID 155427302) is 4-(3-anilinophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-anilinophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-anilinophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2cccc(Nc3ccccc3)c2)cs1.
What is the InChIKey of 4-(3-anilinophenyl)-1,3-thiazol-2-amine?
The InChIKey is BKKNJECJZDAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-15-18-14(10-19-15)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-10,17H,(H2,16,18).
What are the key properties of 4-(3-anilinophenyl)-1,3-thiazol-2-amine?
4-(3-anilinophenyl)-1,3-thiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilinophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155427302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).