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

C18H19N3O2S — CID 90466191

IUPACN-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cnc3c(NCC4CC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O2S/c1-22-15-6-5-12(8-16(15)23-2)13-7-14-17(19-10-13)18(24-21-14)20-9-11-3-4-11/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyVFYXRIXLBXVVFF-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.20
Rot. Bonds6

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

N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine (PubChem CID 90466191) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
PubChem CID90466191
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2cnc3c(NCC4CC4)snc3c2)cc1OC
InChIInChI=1S/C18H19N3O2S/c1-22-15-6-5-12(8-16(15)23-2)13-7-14-17(19-10-13)18(24-21-14)20-9-11-3-4-11/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyVFYXRIXLBXVVFF-UHFFFAOYSA-N
XLogP4.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine (CID 90466191) is N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine is COc1ccc(-c2cnc3c(NCC4CC4)snc3c2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The InChIKey is VFYXRIXLBXVVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-22-15-6-5-12(8-16(15)23-2)13-7-14-17(19-10-13)18(24-21-14)20-9-11-3-4-11/h5-8,10-11,20H,3-4,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine has a molecular weight of 341.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 90466191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).