1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

C16H13N3OS2 — CID 51122663

IUPAC1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H13N3OS2/c20-14(16(7-8-16)12-4-2-1-3-5-12)17-15-19-18-13(22-15)11-6-9-21-10-11/h1-6,9-10H,7-8H2,(H,17,19,20)
InChIKeyWSLDIYCEDGCXRY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.94
Rot. Bonds4

About 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 51122663) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID51122663
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H13N3OS2/c20-14(16(7-8-16)12-4-2-1-3-5-12)17-15-19-18-13(22-15)11-6-9-21-10-11/h1-6,9-10H,7-8H2,(H,17,19,20)
InChIKeyWSLDIYCEDGCXRY-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 55557062
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 47066424
1-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 100590163
1-(1,3-dimethylcyclopentyl)-3-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 166386866
1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077501
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-phenyloxane-4-carboxamide
CID 56829316
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2461024
4-(4-ethylphenyl)-4-oxo-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 56503193
1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 51122663) is 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nnc(-c2ccsc2)s1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WSLDIYCEDGCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-14(16(7-8-16)12-4-2-1-3-5-12)17-15-19-18-13(22-15)11-6-9-21-10-11/h1-6,9-10H,7-8H2,(H,17,19,20).
What are the key properties of 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51122663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).