4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine

C17H17N3S — CID 82059125

IUPAC4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(Nc2nc(-c3ccccc3)c(C)s2)cc1N
InChIInChI=1S/C17H17N3S/c1-11-8-9-14(10-15(11)18)19-17-20-16(12(2)21-17)13-6-4-3-5-7-13/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyOGLHHODNJVYVIW-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.75
Rot. Bonds3

About 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine

4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 82059125) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID82059125
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(Nc2nc(-c3ccccc3)c(C)s2)cc1N
InChIInChI=1S/C17H17N3S/c1-11-8-9-14(10-15(11)18)19-17-20-16(12(2)21-17)13-6-4-3-5-7-13/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyOGLHHODNJVYVIW-UHFFFAOYSA-N
XLogP4.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 82059125) is 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine is Cc1ccc(Nc2nc(-c3ccccc3)c(C)s2)cc1N.
What is the InChIKey of 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is OGLHHODNJVYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-8-9-14(10-15(11)18)19-17-20-16(12(2)21-17)13-6-4-3-5-7-13/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 295.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 82059125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).