3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide

C14H17N3O2S — CID 81052702

IUPAC3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NC3CCOC3)c(N)c2c(C)n1
InChIInChI=1S/C14H17N3O2S/c1-7-5-10-11(8(2)16-7)12(15)13(20-10)14(18)17-9-3-4-19-6-9/h5,9H,3-4,6,15H2,1-2H3,(H,17,18)
InChIKeyPROPNVGNROQZMO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.01
Rot. Bonds2

About 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81052702) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81052702
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NC3CCOC3)c(N)c2c(C)n1
InChIInChI=1S/C14H17N3O2S/c1-7-5-10-11(8(2)16-7)12(15)13(20-10)14(18)17-9-3-4-19-6-9/h5,9H,3-4,6,15H2,1-2H3,(H,17,18)
InChIKeyPROPNVGNROQZMO-UHFFFAOYSA-N
XLogP2.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide (CID 81052702) is 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)NC3CCOC3)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is PROPNVGNROQZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-7-5-10-11(8(2)16-7)12(15)13(20-10)14(18)17-9-3-4-19-6-9/h5,9H,3-4,6,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81052702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).