N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

C11H7N5OS2 — CID 55027574

IUPACN-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cc2c(nc3sccn32)s1
InChIInChI=1S/C11H7N5OS2/c17-8(14-10-12-1-2-13-10)7-5-6-9(19-7)15-11-16(6)3-4-18-11/h1-5H,(H2,12,13,14,17)
InChIKeyQFJHFVZLULFWPY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.59
Rot. Bonds2

About N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide

N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide (PubChem CID 55027574) has the molecular formula C11H7N5OS2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
PubChem CID55027574
Molecular FormulaC11H7N5OS2
Molecular Weight289.35 g/mol
Exact Mass289.01
IUPAC NameN-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cc2c(nc3sccn32)s1
InChIInChI=1S/C11H7N5OS2/c17-8(14-10-12-1-2-13-10)7-5-6-9(19-7)15-11-16(6)3-4-18-11/h1-5H,(H2,12,13,14,17)
InChIKeyQFJHFVZLULFWPY-UHFFFAOYSA-N
XLogP2.59
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide (CID 55027574) is N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide is O=C(Nc1ncc[nH]1)c1cc2c(nc3sccn32)s1.
What is the InChIKey of N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
The InChIKey is QFJHFVZLULFWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5OS2/c17-8(14-10-12-1-2-13-10)7-5-6-9(19-7)15-11-16(6)3-4-18-11/h1-5H,(H2,12,13,14,17).
What are the key properties of N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide?
N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide is sourced from PubChem (CID 55027574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).