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

C18H14BrN3OS — CID 55557062

IUPAC1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C18H14BrN3OS/c19-14-8-4-7-13(11-14)18(9-10-18)16(23)20-17-22-21-15(24-17)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,22,23)
InChIKeyKCPGVOVKVMOBLU-UHFFFAOYSA-N
MW400.30 g/mol
LogP4.64
Rot. Bonds4

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

1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 55557062) has the molecular formula C18H14BrN3OS and a molecular weight of 400.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID55557062
Molecular FormulaC18H14BrN3OS
Molecular Weight400.30 g/mol
Exact Mass399.00
IUPAC Name1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C18H14BrN3OS/c19-14-8-4-7-13(11-14)18(9-10-18)16(23)20-17-22-21-15(24-17)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,22,23)
InChIKeyKCPGVOVKVMOBLU-UHFFFAOYSA-N
XLogP4.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 51122663
2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78847761
1-(3-bromophenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 55556444
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134062088
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
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
2-(3-bromo-4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 60526736
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 55557062) is 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is KCPGVOVKVMOBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3OS/c19-14-8-4-7-13(11-14)18(9-10-18)16(23)20-17-22-21-15(24-17)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,22,23).
What are the key properties of 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 400.30 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55557062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).