(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone

C12H14N4OS — CID 113269844

IUPAC(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
SMILESNc1c(C(=O)N2CCC(N)C2)sc2cnccc12
InChIInChI=1S/C12H14N4OS/c13-7-2-4-16(6-7)12(17)11-10(14)8-1-3-15-5-9(8)18-11/h1,3,5,7H,2,4,6,13-14H2
InChIKeyLWCORXRNCJGFAO-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.05
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone

(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone (PubChem CID 113269844) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
PubChem CID113269844
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
SMILESNc1c(C(=O)N2CCC(N)C2)sc2cnccc12
InChIInChI=1S/C12H14N4OS/c13-7-2-4-16(6-7)12(17)11-10(14)8-1-3-15-5-9(8)18-11/h1,3,5,7H,2,4,6,13-14H2
InChIKeyLWCORXRNCJGFAO-UHFFFAOYSA-N
XLogP1.05
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone (CID 113269844) is (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone is Nc1c(C(=O)N2CCC(N)C2)sc2cnccc12.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone?
The InChIKey is LWCORXRNCJGFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-7-2-4-16(6-7)12(17)11-10(14)8-1-3-15-5-9(8)18-11/h1,3,5,7H,2,4,6,13-14H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone?
(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone has a molecular weight of 262.34 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone is sourced from PubChem (CID 113269844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).