3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol

C22H24N6O2S3 — CID 142939854

IUPAC3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol
SMILESCCC1=CC(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nccs2)=CC=C(C)C1.CO
InChIInChI=1S/C21H20N6OS3.CH4O/c1-3-14-10-13(2)4-5-15(11-14)30-16-6-7-17(31-21-23-12-24-27-21)25-18(16)19(28)26-20-22-8-9-29-20;1-2/h4-9,11-12H,3,10H2,1-2H3,(H,22,26,28)(H,23,24,27);2H,1H3
InChIKeySUVIVCGSLMMWEG-UHFFFAOYSA-N
MW500.68 g/mol
LogP5.33
Rot. Bonds7

About 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol

3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol (PubChem CID 142939854) has the molecular formula C22H24N6O2S3 and a molecular weight of 500.68 g/mol. Its IUPAC name is 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol.

Molecular Properties

Compound Name3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol
PubChem CID142939854
Molecular FormulaC22H24N6O2S3
Molecular Weight500.68 g/mol
Exact Mass500.11
IUPAC Name3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol
SMILESCCC1=CC(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nccs2)=CC=C(C)C1.CO
InChIInChI=1S/C21H20N6OS3.CH4O/c1-3-14-10-13(2)4-5-15(11-14)30-16-6-7-17(31-21-23-12-24-27-21)25-18(16)19(28)26-20-22-8-9-29-20;1-2/h4-9,11-12H,3,10H2,1-2H3,(H,22,26,28)(H,23,24,27);2H,1H3
InChIKeySUVIVCGSLMMWEG-UHFFFAOYSA-N
XLogP5.33
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol with MolForge

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Related Compounds

3-(6-methyl-1-oxidopyridin-1-ium-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092539
3-[4-(dimethylsulfamoyl)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092579
3-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 10414095
3-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 10364352
3-[(5-methyl-3-pyridinyl)sulfanyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 23092617
3-[(6-amino-3-pyridinyl)sulfanyl]-N-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 142939879
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 20683999
3-[4-(dimethylcarbamoyl)phenyl]sulfanyl-N-(1,2-oxazol-3-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide
CID 11754337
3-(4-methoxyphenyl)sulfanyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
CID 23092577
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110465502
5-methyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 110684009

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol?
The IUPAC name of 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol (CID 142939854) is 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol.
What is the SMILES notation for 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol?
The canonical SMILES for 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol is CCC1=CC(Sc2ccc(Sc3ncn[nH]3)nc2C(=O)Nc2nccs2)=CC=C(C)C1.CO.
What is the InChIKey of 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol?
The InChIKey is SUVIVCGSLMMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS3.CH4O/c1-3-14-10-13(2)4-5-15(11-14)30-16-6-7-17(31-21-23-12-24-27-21)25-18(16)19(28)26-20-22-8-9-29-20;1-2/h4-9,11-12H,3,10H2,1-2H3,(H,22,26,28)(H,23,24,27);2H,1H3.
What are the key properties of 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol?
3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol has a molecular weight of 500.68 g/mol, XLogP of 5.33, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-4-methylcyclohepta-1,3,6-trien-1-yl)sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide;methanol is sourced from PubChem (CID 142939854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).