N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H17N3OS — CID 71946235

IUPACN-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(c1ccccc1)c1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C18H17N3OS/c1-2-15(13-9-5-3-6-10-13)17-20-21-18(23-17)19-16(22)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,21,22)
InChIKeyLRDKDAPETMWPOH-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.33
Rot. Bonds5

About N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 71946235) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID71946235
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCC(c1ccccc1)c1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C18H17N3OS/c1-2-15(13-9-5-3-6-10-13)17-20-21-18(23-17)19-16(22)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,21,22)
InChIKeyLRDKDAPETMWPOH-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
3,4,5-trimethoxy-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1401373
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 929372
1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111431679
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
CID 71946256
4-fluoro-N-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4680904
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 56782378
(3R)-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 95614654
1-(1,2-oxazol-3-ylmethyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 71981545

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 71946235) is N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is CCC(c1ccccc1)c1nnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is LRDKDAPETMWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-15(13-9-5-3-6-10-13)17-20-21-18(23-17)19-16(22)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 323.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 71946235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).