4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C16H15N3S — CID 873221

IUPAC4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(Nc3ccccn3)n2)c(C)c1
InChIInChI=1S/C16H15N3S/c1-11-6-7-13(12(2)9-11)14-10-20-16(18-14)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyNCLJBWJICDDMBS-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.57
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 873221) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID873221
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(Nc3ccccn3)n2)c(C)c1
InChIInChI=1S/C16H15N3S/c1-11-6-7-13(12(2)9-11)14-10-20-16(18-14)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyNCLJBWJICDDMBS-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 873221) is 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1ccc(-c2csc(Nc3ccccn3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is NCLJBWJICDDMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-6-7-13(12(2)9-11)14-10-20-16(18-14)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 873221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).