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

C17H14ClN3O2S — CID 91972554

IUPAC2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine
SMILESCOCc1cc(C)nc2sc(-c3nc4cccc(Cl)c4o3)c(N)c12
InChIInChI=1S/C17H14ClN3O2S/c1-8-6-9(7-22-2)12-13(19)15(24-17(12)20-8)16-21-11-5-3-4-10(18)14(11)23-16/h3-6H,7,19H2,1-2H3
InChIKeyQJUOMQDKXNQFSQ-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.79
Rot. Bonds3

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

2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine (PubChem CID 91972554) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine
PubChem CID91972554
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine
SMILESCOCc1cc(C)nc2sc(-c3nc4cccc(Cl)c4o3)c(N)c12
InChIInChI=1S/C17H14ClN3O2S/c1-8-6-9(7-22-2)12-13(19)15(24-17(12)20-8)16-21-11-5-3-4-10(18)14(11)23-16/h3-6H,7,19H2,1-2H3
InChIKeyQJUOMQDKXNQFSQ-UHFFFAOYSA-N
XLogP4.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine (CID 91972554) is 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine is COCc1cc(C)nc2sc(-c3nc4cccc(Cl)c4o3)c(N)c12.
What is the InChIKey of 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
The InChIKey is QJUOMQDKXNQFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-8-6-9(7-22-2)12-13(19)15(24-17(12)20-8)16-21-11-5-3-4-10(18)14(11)23-16/h3-6H,7,19H2,1-2H3.
What are the key properties of 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine has a molecular weight of 359.84 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzoxazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 91972554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).