1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C17H16ClN3S — CID 53338296

IUPAC1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C17H16ClN3S/c1-21(2)13-9-7-12(8-10-13)19-17-20-16(11-22-17)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,19,20)
InChIKeyPXYFHWWLSLHIMC-UHFFFAOYSA-N
MW329.86 g/mol
LogP5.27
Rot. Bonds4

About 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 53338296) has the molecular formula C17H16ClN3S and a molecular weight of 329.86 g/mol. Its IUPAC name is 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID53338296
Molecular FormulaC17H16ClN3S
Molecular Weight329.86 g/mol
Exact Mass329.08
IUPAC Name1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C17H16ClN3S/c1-21(2)13-9-7-12(8-10-13)19-17-20-16(11-22-17)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,19,20)
InChIKeyPXYFHWWLSLHIMC-UHFFFAOYSA-N
XLogP5.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.86
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 166340336
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
CID 122509686
4-(2-chlorophenyl)-N-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 25024578
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
CID 2877428
1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 133451634
4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791675
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(2-chlorophenyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791993

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 53338296) is 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1.
What is the InChIKey of 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is PXYFHWWLSLHIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3S/c1-21(2)13-9-7-12(8-10-13)19-17-20-16(11-22-17)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 329.86 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 53338296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).