(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone

C16H13ClN2OS — CID 698106

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C16H13ClN2OS/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3
InChIKeyCNNVQSJKWGITOR-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.38
Rot. Bonds2

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone (PubChem CID 698106) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
PubChem CID698106
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C16H13ClN2OS/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3
InChIKeyCNNVQSJKWGITOR-UHFFFAOYSA-N
XLogP4.38
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone (CID 698106) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone is Cc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The InChIKey is CNNVQSJKWGITOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone has a molecular weight of 316.81 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 698106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).