(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone

C14H14N2OS — CID 673068

IUPAC(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc2nc3c(cc12)CCC3
InChIInChI=1S/C14H14N2OS/c15-11-9-6-8-2-1-3-10(8)16-14(9)18-13(11)12(17)7-4-5-7/h6-7H,1-5,15H2
InChIKeyMXNDLBXVKZKIKI-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.96
Rot. Bonds2

About (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone

(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone (PubChem CID 673068) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone
PubChem CID673068
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc2nc3c(cc12)CCC3
InChIInChI=1S/C14H14N2OS/c15-11-9-6-8-2-1-3-10(8)16-14(9)18-13(11)12(17)7-4-5-7/h6-7H,1-5,15H2
InChIKeyMXNDLBXVKZKIKI-UHFFFAOYSA-N
XLogP2.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone?
The IUPAC name of (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone (CID 673068) is (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone.
What is the SMILES notation for (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone?
The canonical SMILES for (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone is Nc1c(C(=O)C2CC2)sc2nc3c(cc12)CCC3.
What is the InChIKey of (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone?
The InChIKey is MXNDLBXVKZKIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-11-9-6-8-2-1-3-10(8)16-14(9)18-13(11)12(17)7-4-5-7/h6-7H,1-5,15H2.
What are the key properties of (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone?
(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone has a molecular weight of 258.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-cyclopropylmethanone is sourced from PubChem (CID 673068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).