6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide

C16H16N4OS2 — CID 2252909

IUPAC6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
SMILESNc1c(C(=O)Nc2nccs2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C16H16N4OS2/c17-12-10-8-9-4-2-1-3-5-11(9)19-15(10)23-13(12)14(21)20-16-18-6-7-22-16/h6-8H,1-5,17H2,(H,18,20,21)
InChIKeyAWCYWCZHKGHSAL-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.86
Rot. Bonds2

About 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide

6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide (PubChem CID 2252909) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
PubChem CID2252909
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
SMILESNc1c(C(=O)Nc2nccs2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C16H16N4OS2/c17-12-10-8-9-4-2-1-3-5-11(9)19-15(10)23-13(12)14(21)20-16-18-6-7-22-16/h6-8H,1-5,17H2,(H,18,20,21)
InChIKeyAWCYWCZHKGHSAL-UHFFFAOYSA-N
XLogP3.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?
The IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide (CID 2252909) is 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide.
What is the SMILES notation for 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?
The canonical SMILES for 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide is Nc1c(C(=O)Nc2nccs2)sc2nc3c(cc12)CCCCC3.
What is the InChIKey of 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?
The InChIKey is AWCYWCZHKGHSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c17-12-10-8-9-4-2-1-3-5-11(9)19-15(10)23-13(12)14(21)20-16-18-6-7-22-16/h6-8H,1-5,17H2,(H,18,20,21).
What are the key properties of 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide?
6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide is sourced from PubChem (CID 2252909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).