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

C16H15N3S — CID 972507

IUPACN-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C
InChIInChI=1S/C16H15N3S/c1-11-5-6-14(8-12(11)2)18-16-19-15(10-20-16)13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,19)
InChIKeyYYQJMUZUTIQOHV-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.57
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 972507) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID972507
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C
InChIInChI=1S/C16H15N3S/c1-11-5-6-14(8-12(11)2)18-16-19-15(10-20-16)13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,19)
InChIKeyYYQJMUZUTIQOHV-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 N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 972507) is N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3cccnc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is YYQJMUZUTIQOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-5-6-14(8-12(11)2)18-16-19-15(10-20-16)13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-pyridin-3-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 N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).