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

C15H14N4S — CID 87619876

IUPAC4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1ncc(-c2cccnc2)s1
InChIInChI=1S/C15H14N4S/c1-10-4-5-12(16)7-13(10)19-15-18-9-14(20-15)11-3-2-6-17-8-11/h2-9H,16H2,1H3,(H,18,19)
InChIKeyDSDAPSAVWCJXOU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.84
Rot. Bonds3

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

4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 87619876) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID87619876
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1ncc(-c2cccnc2)s1
InChIInChI=1S/C15H14N4S/c1-10-4-5-12(16)7-13(10)19-15-18-9-14(20-15)11-3-2-6-17-8-11/h2-9H,16H2,1H3,(H,18,19)
InChIKeyDSDAPSAVWCJXOU-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 87619876) is 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine is Cc1ccc(N)cc1Nc1ncc(-c2cccnc2)s1.
What is the InChIKey of 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is DSDAPSAVWCJXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-4-5-12(16)7-13(10)19-15-18-9-14(20-15)11-3-2-6-17-8-11/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of 4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
4-methyl-3-N-(5-pyridin-3-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-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 87619876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).