N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide

C18H15N3OS — CID 4812441

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H15N3OS/c22-16(19-18-21-20-17(23-18)13-10-11-13)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,19,21,22)
InChIKeyIVVCQPHGSGGYNC-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.33
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide (PubChem CID 4812441) has the molecular formula C18H15N3OS and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
PubChem CID4812441
Molecular FormulaC18H15N3OS
Molecular Weight321.40 g/mol
Exact Mass321.09
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H15N3OS/c22-16(19-18-21-20-17(23-18)13-10-11-13)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,19,21,22)
InChIKeyIVVCQPHGSGGYNC-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2090181
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 17402298
2-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-8-methylquinoline-4-carboxamide
CID 1261360
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide (CID 4812441) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide is O=C(Nc1nnc(C2CC2)s1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide?
The InChIKey is IVVCQPHGSGGYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-16(19-18-21-20-17(23-18)13-10-11-13)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,19,21,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide has a molecular weight of 321.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide is sourced from PubChem (CID 4812441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).