2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide

C18H14N4O2S2 — CID 40602337

IUPAC2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide
SMILESN#Cc1c(NC(=O)C[C@H]2SC(N)=NC2=O)sc2c1CCc1ccccc1-2
InChIInChI=1S/C18H14N4O2S2/c19-8-12-11-6-5-9-3-1-2-4-10(9)15(11)26-17(12)21-14(23)7-13-16(24)22-18(20)25-13/h1-4,13H,5-7H2,(H,21,23)(H2,20,22,24)/t13-/m1/s1
InChIKeyHLIOGYDADWKISY-CYBMUJFWSA-N
MW382.47 g/mol
LogP2.67
Rot. Bonds3

About 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide

2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide (PubChem CID 40602337) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide
PubChem CID40602337
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide
SMILESN#Cc1c(NC(=O)C[C@H]2SC(N)=NC2=O)sc2c1CCc1ccccc1-2
InChIInChI=1S/C18H14N4O2S2/c19-8-12-11-6-5-9-3-1-2-4-10(9)15(11)26-17(12)21-14(23)7-13-16(24)22-18(20)25-13/h1-4,13H,5-7H2,(H,21,23)(H2,20,22,24)/t13-/m1/s1
InChIKeyHLIOGYDADWKISY-CYBMUJFWSA-N
XLogP2.67
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23970086
N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]propanamide
CID 23804419
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
[2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23802761
N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-nitrobenzamide
CID 23861281
[2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate
CID 23859917
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427657
ethyl 2-[3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23746228
[1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23774275
ethyl 2-[3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23889473

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide?
The IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide (CID 40602337) is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide.
What is the SMILES notation for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide?
The canonical SMILES for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide is N#Cc1c(NC(=O)C[C@H]2SC(N)=NC2=O)sc2c1CCc1ccccc1-2.
What is the InChIKey of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide?
The InChIKey is HLIOGYDADWKISY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c19-8-12-11-6-5-9-3-1-2-4-10(9)15(11)26-17(12)21-14(23)7-13-16(24)22-18(20)25-13/h1-4,13H,5-7H2,(H,21,23)(H2,20,22,24)/t13-/m1/s1.
What are the key properties of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide?
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)acetamide is sourced from PubChem (CID 40602337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).