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

C16H13ClN2OS — CID 672747

IUPAC(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl
InChIInChI=1S/C16H13ClN2OS/c1-8-11-13(18)15(14(20)10-6-4-3-5-7-10)21-16(11)19-9(2)12(8)17/h3-7H,18H2,1-2H3
InChIKeyVXDNJGCGUCMVCS-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.38
Rot. Bonds2

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

(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 672747) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID672747
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl
InChIInChI=1S/C16H13ClN2OS/c1-8-11-13(18)15(14(20)10-6-4-3-5-7-10)21-16(11)19-9(2)12(8)17/h3-7H,18H2,1-2H3
InChIKeyVXDNJGCGUCMVCS-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-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (CID 672747) is (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl.
What is the InChIKey of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is VXDNJGCGUCMVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-8-11-13(18)15(14(20)10-6-4-3-5-7-10)21-16(11)19-9(2)12(8)17/h3-7H,18H2,1-2H3.
What are the key properties of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone 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-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 672747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).