N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C19H16N4OS2 — CID 78761493

IUPACN-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(SCc3coc(-c4ccccc4)n3)s2)cc1
InChIInChI=1S/C19H16N4OS2/c1-3-7-14(8-4-1)11-20-18-22-23-19(26-18)25-13-16-12-24-17(21-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,22)
InChIKeyJTTWOLSJUXXUKE-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.10
Rot. Bonds7

About N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 78761493) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID78761493
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(SCc3coc(-c4ccccc4)n3)s2)cc1
InChIInChI=1S/C19H16N4OS2/c1-3-7-14(8-4-1)11-20-18-22-23-19(26-18)25-13-16-12-24-17(21-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,22)
InChIKeyJTTWOLSJUXXUKE-UHFFFAOYSA-N
XLogP5.10
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24666079
N-(3-ethoxypropyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43018193
5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 33080782
5-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 33347592
N-benzyl-5-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47093988
N-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2113200
N-benzyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 31529837
N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 33343032
N-cyclohexyl-5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46541182
N-benzyl-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 8939690
N-[3-[[5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46575405
N-benzyl-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 4011743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 78761493) is N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is c1ccc(CNc2nnc(SCc3coc(-c4ccccc4)n3)s2)cc1.
What is the InChIKey of N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JTTWOLSJUXXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-3-7-14(8-4-1)11-20-18-22-23-19(26-18)25-13-16-12-24-17(21-16)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,22).
What are the key properties of N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 380.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 78761493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).