4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine

C15H14N4S — CID 82059283

IUPAC4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H14N4S/c1-10-2-3-12(16)8-13(10)18-15-19-14(9-20-15)11-4-6-17-7-5-11/h2-9H,16H2,1H3,(H,18,19)
InChIKeyJTFZVEFZUCYUSS-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.84
Rot. Bonds3

About 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine

4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 82059283) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID82059283
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H14N4S/c1-10-2-3-12(16)8-13(10)18-15-19-14(9-20-15)11-4-6-17-7-5-11/h2-9H,16H2,1H3,(H,18,19)
InChIKeyJTFZVEFZUCYUSS-UHFFFAOYSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine
CID 159379452
3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-(trideuterio(113C)methyl)benzene-1,3-diamine
CID 91971706
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-thiazol-2-amine
CID 82028308
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 11774422
3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine
CID 141437181
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
N-(3-methyl-2-pyridinyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 1092469
2-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 141123181
4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059246
4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 810304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 82059283) is 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine is Cc1ccc(N)cc1Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is JTFZVEFZUCYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-2-3-12(16)8-13(10)18-15-19-14(9-20-15)11-4-6-17-7-5-11/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 282.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 82059283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).