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

C16H17N3O2S — CID 90466192

IUPAC6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cnc3c(N(C)C)snc3c2)cc1OC
InChIInChI=1S/C16H17N3O2S/c1-19(2)16-15-12(18-22-16)7-11(9-17-15)10-5-6-13(20-3)14(8-10)21-4/h5-9H,1-4H3
InChIKeyOXJVKEIJSOGMGR-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.44
Rot. Bonds4

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

6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine (PubChem CID 90466192) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine
PubChem CID90466192
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cnc3c(N(C)C)snc3c2)cc1OC
InChIInChI=1S/C16H17N3O2S/c1-19(2)16-15-12(18-22-16)7-11(9-17-15)10-5-6-13(20-3)14(8-10)21-4/h5-9H,1-4H3
InChIKeyOXJVKEIJSOGMGR-UHFFFAOYSA-N
XLogP3.44
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine (CID 90466192) is 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine is COc1ccc(-c2cnc3c(N(C)C)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The InChIKey is OXJVKEIJSOGMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19(2)16-15-12(18-22-16)7-11(9-17-15)10-5-6-13(20-3)14(8-10)21-4/h5-9H,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine?
6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine has a molecular weight of 315.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N,N-dimethyl-[1,2]thiazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 90466192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).