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

C16H13N3OS — CID 110873740

IUPACN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(12-7-3-1-4-8-12)17-11-14-18-19-16(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)
InChIKeyVFRXIQQFCCIRLC-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.14
Rot. Bonds4

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

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide (PubChem CID 110873740) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
PubChem CID110873740
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(12-7-3-1-4-8-12)17-11-14-18-19-16(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20)
InChIKeyVFRXIQQFCCIRLC-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 154751637
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide
CID 133379872
1-(4-chlorophenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874844
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide
CID 75380368
[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
CID 136641585
3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
CID 71919174
2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
CID 119816640
2-fluoro-N-[[5-(4-formylphenyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
CID 123918704
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 167947615
1-(2,4-dimethylphenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 71851800
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide (CID 110873740) is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide is O=C(NCc1nnc(-c2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The InChIKey is VFRXIQQFCCIRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(12-7-3-1-4-8-12)17-11-14-18-19-16(21-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,20).
What are the key properties of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110873740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).