4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine

C19H17N3OS — CID 11645713

IUPAC4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C
InChIInChI=1S/C19H17N3OS/c1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13/h4-9H,20H2,1-3H3
InChIKeyILMOKWFTTZQSGD-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.13
Rot. Bonds2

About 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine

4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 11645713) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID11645713
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C
InChIInChI=1S/C19H17N3OS/c1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13/h4-9H,20H2,1-3H3
InChIKeyILMOKWFTTZQSGD-UHFFFAOYSA-N
XLogP5.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 11645713) is 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine is Cc1nc2sc(-c3ncc(-c4ccccc4)o3)c(N)c2c(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is ILMOKWFTTZQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-10-11(2)15-16(20)17(24-19(15)22-12(10)3)18-21-9-14(23-18)13-7-5-4-6-8-13/h4-9H,20H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 335.43 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 11645713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).