6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine

C19H21N3O2S — CID 71574011

IUPAC6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
SMILESCOc1cccc(OC)c1-c1cccc(NCc2nc(C)c(C)s2)n1
InChIInChI=1S/C19H21N3O2S/c1-12-13(2)25-18(21-12)11-20-17-10-5-7-14(22-17)19-15(23-3)8-6-9-16(19)24-4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyPZUAAKOJMQYALV-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.45
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine

6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine (PubChem CID 71574011) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
PubChem CID71574011
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
SMILESCOc1cccc(OC)c1-c1cccc(NCc2nc(C)c(C)s2)n1
InChIInChI=1S/C19H21N3O2S/c1-12-13(2)25-18(21-12)11-20-17-10-5-7-14(22-17)19-15(23-3)8-6-9-16(19)24-4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyPZUAAKOJMQYALV-UHFFFAOYSA-N
XLogP4.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine (CID 71574011) is 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine is COc1cccc(OC)c1-c1cccc(NCc2nc(C)c(C)s2)n1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is PZUAAKOJMQYALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-13(2)25-18(21-12)11-20-17-10-5-7-14(22-17)19-15(23-3)8-6-9-16(19)24-4/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 355.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 71574011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).