N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine

C16H17N3O2S — CID 157012668

IUPACN-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESCOc1cc(Nc2nsc3nc(C)cc(C)c23)cc(OC)c1
InChIInChI=1S/C16H17N3O2S/c1-9-5-10(2)17-16-14(9)15(19-22-16)18-11-6-12(20-3)8-13(7-11)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyZMBCFMFVYKGHDE-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.07
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine

N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine (PubChem CID 157012668) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
PubChem CID157012668
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESCOc1cc(Nc2nsc3nc(C)cc(C)c23)cc(OC)c1
InChIInChI=1S/C16H17N3O2S/c1-9-5-10(2)17-16-14(9)15(19-22-16)18-11-6-12(20-3)8-13(7-11)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyZMBCFMFVYKGHDE-UHFFFAOYSA-N
XLogP4.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine (CID 157012668) is N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine is COc1cc(Nc2nsc3nc(C)cc(C)c23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The InChIKey is ZMBCFMFVYKGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-5-10(2)17-16-14(9)15(19-22-16)18-11-6-12(20-3)8-13(7-11)21-4/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine?
N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine has a molecular weight of 315.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 157012668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).