N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C19H18N2OS2 — CID 88549047

IUPACN-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(SCc2ccccc2)s1
InChIInChI=1S/C19H18N2OS2/c22-17(12-11-15-7-3-1-4-8-15)21-19-20-13-18(24-19)23-14-16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,20,21,22)
InChIKeyPHCPPMJEJJPZPG-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.01
Rot. Bonds7

About N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide

N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 88549047) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID88549047
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC NameN-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ncc(SCc2ccccc2)s1
InChIInChI=1S/C19H18N2OS2/c22-17(12-11-15-7-3-1-4-8-15)21-19-20-13-18(24-19)23-14-16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,20,21,22)
InChIKeyPHCPPMJEJJPZPG-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 53257808
3-phenyl-N-[5-(2-phenylethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42667066
2-[[2-[6-(4-fluorophenyl)hexanoylamino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
CID 87420406
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 2192003
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)propanamide
CID 18863055
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 2294800
methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 18121924
N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 7096138

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 88549047) is N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ncc(SCc2ccccc2)s1.
What is the InChIKey of N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is PHCPPMJEJJPZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c22-17(12-11-15-7-3-1-4-8-15)21-19-20-13-18(24-19)23-14-16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,20,21,22).
What are the key properties of N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 354.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 88549047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).