3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide

C14H13NOS — CID 127027025

IUPAC3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1ccccc1CCC2
InChIInChI=1S/C14H13NOS/c15-14(16)12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)17-12/h1-2,4,7-8H,3,5-6H2,(H2,15,16)
InChIKeyZOESZYPPGSJSKL-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.00
Rot. Bonds1

About 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide

3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide (PubChem CID 127027025) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide.

Molecular Properties

Compound Name3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
PubChem CID127027025
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1ccccc1CCC2
InChIInChI=1S/C14H13NOS/c15-14(16)12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)17-12/h1-2,4,7-8H,3,5-6H2,(H2,15,16)
InChIKeyZOESZYPPGSJSKL-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25002768
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4,5-Dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 47110310
5-Methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 127025476
4-Methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 127027023
5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxamide
CID 127027024
4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbohydrazide
CID 3470425
5-(3-Ethylsulfanylphenyl)thiophene-2-Carboxamide
CID 91754987
2-[5-(2-Fluorobenzoyl)thiophen-2-yl]acetamide
CID 1486760
2-[5-(4-Fluorobenzoyl)thiophen-2-yl]acetamide
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1-Benzothiophene-2-carboxamide
CID 237073

Frequently Asked Questions

What is the IUPAC name of 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The IUPAC name of 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide (CID 127027025) is 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide.
What is the SMILES notation for 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The canonical SMILES for 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide is NC(=O)c1cc2c(s1)-c1ccccc1CCC2.
What is the InChIKey of 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
The InChIKey is ZOESZYPPGSJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c15-14(16)12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)17-12/h1-2,4,7-8H,3,5-6H2,(H2,15,16).
What are the key properties of 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide?
3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide is sourced from PubChem (CID 127027025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).