N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide

C25H20N2O2S2 — CID 43980889

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1
InChIInChI=1S/C25H20N2O2S2/c1-2-30-20-15-9-14-19(16-20)24(29)27-25-26-21(17-10-5-3-6-11-17)23(31-25)22(28)18-12-7-4-8-13-18/h3-16H,2H2,1H3,(H,26,27,29)
InChIKeyCDATUNYYLANMTO-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.41
Rot. Bonds7

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide (PubChem CID 43980889) has the molecular formula C25H20N2O2S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
PubChem CID43980889
Molecular FormulaC25H20N2O2S2
Molecular Weight444.58 g/mol
Exact Mass444.10
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1
InChIInChI=1S/C25H20N2O2S2/c1-2-30-20-15-9-14-19(16-20)24(29)27-25-26-21(17-10-5-3-6-11-17)23(31-25)22(28)18-12-7-4-8-13-18/h3-16H,2H2,1H3,(H,26,27,29)
InChIKeyCDATUNYYLANMTO-UHFFFAOYSA-N
XLogP6.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41151832
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 112811296
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
3-ethylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7578763
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 44994230

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide (CID 43980889) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide is CCSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide?
The InChIKey is CDATUNYYLANMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S2/c1-2-30-20-15-9-14-19(16-20)24(29)27-25-26-21(17-10-5-3-6-11-17)23(31-25)22(28)18-12-7-4-8-13-18/h3-16H,2H2,1H3,(H,26,27,29).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide has a molecular weight of 444.58 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide is sourced from PubChem (CID 43980889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).