N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C16H15N3OS2 — CID 978264

IUPACN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C16H15N3OS2/c20-14(11-13-7-4-10-21-13)17-16-19-18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19,20)
InChIKeyQBSCWZMJLKQFDZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.57
Rot. Bonds6

About N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 978264) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID978264
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C16H15N3OS2/c20-14(11-13-7-4-10-21-13)17-16-19-18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19,20)
InChIKeyQBSCWZMJLKQFDZ-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide)
CID 3372016
N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 975548
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
2-phenyl-2-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2862025
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
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-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982407
Glutaminase-IN-4
CID 74982440

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 978264) is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is QBSCWZMJLKQFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c20-14(11-13-7-4-10-21-13)17-16-19-18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,17,19,20).
What are the key properties of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 329.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 978264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).