(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

C17H16N2OS — CID 682264

IUPAC(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C
InChIInChI=1S/C17H16N2OS/c1-9-10(2)13-14(18)16(21-17(13)19-11(9)3)15(20)12-7-5-4-6-8-12/h4-8H,18H2,1-3H3
InChIKeyUPVHGDWZQDTNEQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.03
Rot. Bonds2

About (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 682264) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID682264
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C
InChIInChI=1S/C17H16N2OS/c1-9-10(2)13-14(18)16(21-17(13)19-11(9)3)15(20)12-7-5-4-6-8-12/h4-8H,18H2,1-3H3
InChIKeyUPVHGDWZQDTNEQ-UHFFFAOYSA-N
XLogP4.03
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (CID 682264) is (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C.
What is the InChIKey of (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is UPVHGDWZQDTNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-9-10(2)13-14(18)16(21-17(13)19-11(9)3)15(20)12-7-5-4-6-8-12/h4-8H,18H2,1-3H3.
What are the key properties of (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone has a molecular weight of 296.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 682264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).