N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C16H20N4O2S — CID 167847829

IUPACN-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCC(CN(Cc1ncco1)c1nc2ccc(C)nc2s1)OC
InChIInChI=1S/C16H20N4O2S/c1-4-12(21-3)9-20(10-14-17-7-8-22-14)16-19-13-6-5-11(2)18-15(13)23-16/h5-8,12H,4,9-10H2,1-3H3
InChIKeyUGERSVRZECLWMJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.42
Rot. Bonds7

About N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 167847829) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID167847829
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCC(CN(Cc1ncco1)c1nc2ccc(C)nc2s1)OC
InChIInChI=1S/C16H20N4O2S/c1-4-12(21-3)9-20(10-14-17-7-8-22-14)16-19-13-6-5-11(2)18-15(13)23-16/h5-8,12H,4,9-10H2,1-3H3
InChIKeyUGERSVRZECLWMJ-UHFFFAOYSA-N
XLogP3.42
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 167847829) is N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCC(CN(Cc1ncco1)c1nc2ccc(C)nc2s1)OC.
What is the InChIKey of N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is UGERSVRZECLWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-12(21-3)9-20(10-14-17-7-8-22-14)16-19-13-6-5-11(2)18-15(13)23-16/h5-8,12H,4,9-10H2,1-3H3.
What are the key properties of N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 332.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxybutyl)-5-methyl-N-(1,3-oxazol-2-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 167847829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).