4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine

C16H15N3S — CID 1075886

IUPAC4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1
InChIInChI=1S/C16H15N3S/c1-11-2-4-12(5-3-11)15-10-20-16(19-15)18-14-8-6-13(17)7-9-14/h2-10H,17H2,1H3,(H,18,19)
InChIKeyUSLCVYYYXXDRQT-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.44
Rot. Bonds3

About 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine

4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine (PubChem CID 1075886) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
PubChem CID1075886
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
SMILESCc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1
InChIInChI=1S/C16H15N3S/c1-11-2-4-12(5-3-11)15-10-20-16(19-15)18-14-8-6-13(17)7-9-14/h2-10H,17H2,1H3,(H,18,19)
InChIKeyUSLCVYYYXXDRQT-UHFFFAOYSA-N
XLogP4.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine (CID 1075886) is 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine is Cc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
The InChIKey is USLCVYYYXXDRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-2-4-12(5-3-11)15-10-20-16(19-15)18-14-8-6-13(17)7-9-14/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine?
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 1075886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).