3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

C15H19N3O2S — CID 81035171

IUPAC3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)N(CCO)C3CC3)c(N)c2c(C)n1
InChIInChI=1S/C15H19N3O2S/c1-8-7-11-12(9(2)17-8)13(16)14(21-11)15(20)18(5-6-19)10-3-4-10/h7,10,19H,3-6,16H2,1-2H3
InChIKeyNIRJZDWULUKSQV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81035171) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
PubChem CID81035171
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)N(CCO)C3CC3)c(N)c2c(C)n1
InChIInChI=1S/C15H19N3O2S/c1-8-7-11-12(9(2)17-8)13(16)14(21-11)15(20)18(5-6-19)10-3-4-10/h7,10,19H,3-6,16H2,1-2H3
InChIKeyNIRJZDWULUKSQV-UHFFFAOYSA-N
XLogP2.09
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (CID 81035171) is 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)N(CCO)C3CC3)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is NIRJZDWULUKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-7-11-12(9(2)17-8)13(16)14(21-11)15(20)18(5-6-19)10-3-4-10/h7,10,19H,3-6,16H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81035171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).