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

C16H15N3O2S — CID 25342683

IUPAC4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccn3)n2)c(OC)c1
InChIInChI=1S/C16H15N3O2S/c1-20-11-6-7-12(14(9-11)21-2)13-10-22-16(18-13)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyRCGTYUUDGXKFAB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.97
Rot. Bonds5

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

4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 25342683) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID25342683
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccn3)n2)c(OC)c1
InChIInChI=1S/C16H15N3O2S/c1-20-11-6-7-12(14(9-11)21-2)13-10-22-16(18-13)19-15-5-3-4-8-17-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyRCGTYUUDGXKFAB-UHFFFAOYSA-N
XLogP3.97
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 30296649
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910662
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
CID 7529068
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911134
4-[3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 87514486
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 25342683) is 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccccn3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is RCGTYUUDGXKFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-11-6-7-12(14(9-11)21-2)13-10-22-16(18-13)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-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 313.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 25342683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).