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

C16H15N3S — CID 972690

IUPACN-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccn3)cs2)cc1C
InChIInChI=1S/C16H15N3S/c1-11-6-7-13(9-12(11)2)18-16-19-15(10-20-16)14-5-3-4-8-17-14/h3-10H,1-2H3,(H,18,19)
InChIKeyXLPGLESRLBSAEJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.57
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 972690) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID972690
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccccn3)cs2)cc1C
InChIInChI=1S/C16H15N3S/c1-11-6-7-13(9-12(11)2)18-16-19-15(10-20-16)14-5-3-4-8-17-14/h3-10H,1-2H3,(H,18,19)
InChIKeyXLPGLESRLBSAEJ-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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Related Compounds

N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] 3,4-dimethylbenzenesulfonate
CID 110504056
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 86076382
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 972690) is N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccccn3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XLPGLESRLBSAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-6-7-13(9-12(11)2)18-16-19-15(10-20-16)14-5-3-4-8-17-14/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-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 N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).