2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide

C18H15N3OS — CID 3770330

IUPAC2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(C=Cc2ccccc2)s1
InChIInChI=1S/C18H15N3OS/c22-16(13-15-9-5-2-6-10-15)19-18-21-20-17(23-18)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,19,21,22)
InChIKeyJQMRIHGLWIEJRA-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.89
Rot. Bonds5

About 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3770330) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3770330
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(C=Cc2ccccc2)s1
InChIInChI=1S/C18H15N3OS/c22-16(13-15-9-5-2-6-10-15)19-18-21-20-17(23-18)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,19,21,22)
InChIKeyJQMRIHGLWIEJRA-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 3467248
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
3,4-dichloro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5289843
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
2-(4-methoxyphenyl)-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 19114730
3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide
CID 24898477
3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3695224
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 805078
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 23819133
2-(4-bromophenyl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320539
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 108756226

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 3770330) is 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccc1)Nc1nnc(C=Cc2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JQMRIHGLWIEJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-16(13-15-9-5-2-6-10-15)19-18-21-20-17(23-18)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,19,21,22).
What are the key properties of 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 321.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3770330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).