4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine

C18H19N3S — CID 103597395

IUPAC4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCc1ccc(-c2csc(-c3ccnc(N(C)C)c3)n2)cc1C
InChIInChI=1S/C18H19N3S/c1-12-5-6-14(9-13(12)2)16-11-22-18(20-16)15-7-8-19-17(10-15)21(3)4/h5-11H,1-4H3
InChIKeyWBZRVCRAQMZNAM-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.55
Rot. Bonds3

About 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine

4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 103597395) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID103597395
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCc1ccc(-c2csc(-c3ccnc(N(C)C)c3)n2)cc1C
InChIInChI=1S/C18H19N3S/c1-12-5-6-14(9-13(12)2)16-11-22-18(20-16)15-7-8-19-17(10-15)21(3)4/h5-11H,1-4H3
InChIKeyWBZRVCRAQMZNAM-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-4-(3,4-dimethylphenyl)-1,3-thiazole
CID 79832425
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
N,N-diethyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 103597410
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]isoindole-1,3-dione
CID 168518353
2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 46339242
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 4658652
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
5-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334414
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine (CID 103597395) is 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine is Cc1ccc(-c2csc(-c3ccnc(N(C)C)c3)n2)cc1C.
What is the InChIKey of 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is WBZRVCRAQMZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-12-5-6-14(9-13(12)2)16-11-22-18(20-16)15-7-8-19-17(10-15)21(3)4/h5-11H,1-4H3.
What are the key properties of 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine?
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 309.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 103597395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).