3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C13H14ClN3OS — CID 53382542

IUPAC3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
InChIInChI=1S/C13H14ClN3OS/c1-5-8-10(15)11(12(18)17-7-3-4-7)19-13(8)16-6(2)9(5)14/h7H,3-4,15H2,1-2H3,(H,17,18)
InChIKeyVIZLOCIWSKXQJN-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.04
Rot. Bonds2

About 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 53382542) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID53382542
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
InChIInChI=1S/C13H14ClN3OS/c1-5-8-10(15)11(12(18)17-7-3-4-7)19-13(8)16-6(2)9(5)14/h7H,3-4,15H2,1-2H3,(H,17,18)
InChIKeyVIZLOCIWSKXQJN-UHFFFAOYSA-N
XLogP3.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 53382542) is 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl.
What is the InChIKey of 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VIZLOCIWSKXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-5-8-10(15)11(12(18)17-7-3-4-7)19-13(8)16-6(2)9(5)14/h7H,3-4,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53382542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).