2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C21H26N6O2S2 — CID 71701743

IUPAC2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCSc1nc(N2CCN(CC(=O)Nc3nccs3)CC2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C21H26N6O2S2/c1-21(2)10-14-15(11-22)19(30-3)25-18(16(14)13-29-21)27-7-5-26(6-8-27)12-17(28)24-20-23-4-9-31-20/h4,9H,5-8,10,12-13H2,1-3H3,(H,23,24,28)
InChIKeyNVSLONJSDSBYIM-UHFFFAOYSA-N
MW458.61 g/mol
LogP2.74
Rot. Bonds5

About 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71701743) has the molecular formula C21H26N6O2S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71701743
Molecular FormulaC21H26N6O2S2
Molecular Weight458.61 g/mol
Exact Mass458.16
IUPAC Name2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCSc1nc(N2CCN(CC(=O)Nc3nccs3)CC2)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C21H26N6O2S2/c1-21(2)10-14-15(11-22)19(30-3)25-18(16(14)13-29-21)27-7-5-26(6-8-27)12-17(28)24-20-23-4-9-31-20/h4,9H,5-8,10,12-13H2,1-3H3,(H,23,24,28)
InChIKeyNVSLONJSDSBYIM-UHFFFAOYSA-N
XLogP2.74
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2964834
2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97264271
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20895497
ethyl (2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
CID 1205092
3-amino-12,12-dimethyl-8-morpholin-4-yl-N-(1,3-thiazol-2-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide
CID 3791228
3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791
6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 910170
6-[2-(3-hydroxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281362
6-[(3,4-dichlorophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3290963
2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50971714
6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282848

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 71701743) is 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CSc1nc(N2CCN(CC(=O)Nc3nccs3)CC2)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NVSLONJSDSBYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S2/c1-21(2)10-14-15(11-22)19(30-3)25-18(16(14)13-29-21)27-7-5-26(6-8-27)12-17(28)24-20-23-4-9-31-20/h4,9H,5-8,10,12-13H2,1-3H3,(H,23,24,28).
What are the key properties of 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 458.61 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71701743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).