2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C19H16N4O2S2 — CID 659860

IUPAC2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2nccs2)nc2c(c1-c1ccco1)CCCC2
InChIInChI=1S/C19H16N4O2S2/c20-10-13-17(15-6-3-8-25-15)12-4-1-2-5-14(12)22-18(13)27-11-16(24)23-19-21-7-9-26-19/h3,6-9H,1-2,4-5,11H2,(H,21,23,24)
InChIKeyPRGLEKXIBJTALC-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.28
Rot. Bonds5

About 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 659860) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID659860
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2nccs2)nc2c(c1-c1ccco1)CCCC2
InChIInChI=1S/C19H16N4O2S2/c20-10-13-17(15-6-3-8-25-15)12-4-1-2-5-14(12)22-18(13)27-11-16(24)23-19-21-7-9-26-19/h3,6-9H,1-2,4-5,11H2,(H,21,23,24)
InChIKeyPRGLEKXIBJTALC-UHFFFAOYSA-N
XLogP4.28
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2082785
2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 9117172
3-benzyloxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 26203066
2-Amino-4-(furan-2-yl)-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 155519551
5-(furan-2-yl)-N-methyl-3-(thiazol-5-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135400824
3-(5-phenylfuran-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 16366041
5-(furan-2-yl)-6-(3-methylphenyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 172434737
5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-N-phenyl-1,4-dihydropyridine-3-carboxamide
CID 2908352
6-(4-cyanophenoxy)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 118273878
3-amino-4-(furan-2-yl)-N-(1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1604603
5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-N-phenylnicotinamide
CID 1990891
7-(furan-2-yl)-5-hydroxy-2-methyl-N-(pyridin-2-yl)-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
CID 3164854

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 659860) is 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is N#Cc1c(SCC(=O)Nc2nccs2)nc2c(c1-c1ccco1)CCCC2.
What is the InChIKey of 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PRGLEKXIBJTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c20-10-13-17(15-6-3-8-25-15)12-4-1-2-5-14(12)22-18(13)27-11-16(24)23-19-21-7-9-26-19/h3,6-9H,1-2,4-5,11H2,(H,21,23,24).
What are the key properties of 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 396.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 659860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).