2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline

C15H11ClN2S — CID 12621900

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccccc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H11ClN2S/c16-11-7-5-10(6-8-11)14-9-19-15(18-14)12-3-1-2-4-13(12)17/h1-9H,17H2
InChIKeyJFYHGKDQAVKIBO-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.71
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 12621900) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
PubChem CID12621900
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccccc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H11ClN2S/c16-11-7-5-10(6-8-11)14-9-19-15(18-14)12-3-1-2-4-13(12)17/h1-9H,17H2
InChIKeyJFYHGKDQAVKIBO-UHFFFAOYSA-N
XLogP4.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 61270125
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
8-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502531
4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
CID 107935455
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
CID 22049722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline (CID 12621900) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline is Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is JFYHGKDQAVKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-11-7-5-10(6-8-11)14-9-19-15(18-14)12-3-1-2-4-13(12)17/h1-9H,17H2.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 286.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 12621900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).