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

C16H15N3O2S — CID 972982

IUPAC4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cccnc3)n2)cc1OC
InChIInChI=1S/C16H15N3O2S/c1-20-14-6-5-11(8-15(14)21-2)13-10-22-16(19-13)18-12-4-3-7-17-9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyYVCHHZVCQCZRBM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.97
Rot. Bonds5

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

4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 972982) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID972982
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cccnc3)n2)cc1OC
InChIInChI=1S/C16H15N3O2S/c1-20-14-6-5-11(8-15(14)21-2)13-10-22-16(19-13)18-12-4-3-7-17-9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyYVCHHZVCQCZRBM-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 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 972982) is 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cccnc3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is YVCHHZVCQCZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-14-6-5-11(8-15(14)21-2)13-10-22-16(19-13)18-12-4-3-7-17-9-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-pyridin-3-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-(3,4-dimethoxyphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).