2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

C16H12ClN3OS — CID 91742758

IUPAC2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
SMILESCc1cc(C)c2c(N)c(-c3nc4cccc(Cl)c4o3)sc2n1
InChIInChI=1S/C16H12ClN3OS/c1-7-6-8(2)19-16-11(7)12(18)14(22-16)15-20-10-5-3-4-9(17)13(10)21-15/h3-6H,18H2,1-2H3
InChIKeyDOJFFOLALQSEII-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.96
Rot. Bonds1

About 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine

2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine (PubChem CID 91742758) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
PubChem CID91742758
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
SMILESCc1cc(C)c2c(N)c(-c3nc4cccc(Cl)c4o3)sc2n1
InChIInChI=1S/C16H12ClN3OS/c1-7-6-8(2)19-16-11(7)12(18)14(22-16)15-20-10-5-3-4-9(17)13(10)21-15/h3-6H,18H2,1-2H3
InChIKeyDOJFFOLALQSEII-UHFFFAOYSA-N
XLogP4.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine (CID 91742758) is 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine is Cc1cc(C)c2c(N)c(-c3nc4cccc(Cl)c4o3)sc2n1.
What is the InChIKey of 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
The InChIKey is DOJFFOLALQSEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-7-6-8(2)19-16-11(7)12(18)14(22-16)15-20-10-5-3-4-9(17)13(10)21-15/h3-6H,18H2,1-2H3.
What are the key properties of 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine?
2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine has a molecular weight of 329.81 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 91742758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).