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

C16H15N3O2S — CID 972841

IUPACN-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccccn3)cs2)c(OC)c1
InChIInChI=1S/C16H15N3O2S/c1-20-11-6-7-13(15(9-11)21-2)18-16-19-14(10-22-16)12-5-3-4-8-17-12/h3-10H,1-2H3,(H,18,19)
InChIKeyRTFHFGKMSQBITM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.97
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 972841) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID972841
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccccn3)cs2)c(OC)c1
InChIInChI=1S/C16H15N3O2S/c1-20-11-6-7-13(15(9-11)21-2)18-16-19-14(10-22-16)12-5-3-4-8-17-12/h3-10H,1-2H3,(H,18,19)
InChIKeyRTFHFGKMSQBITM-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 972841) is N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccccn3)cs2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is RTFHFGKMSQBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-11-6-7-13(15(9-11)21-2)18-16-19-14(10-22-16)12-5-3-4-8-17-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-4-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 N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).