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

C16H13N3OS — CID 569511

IUPACN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15-18-19-16(21-15)17-14(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)
InChIKeySIHYHKOFZPWMHZ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.77
Rot. Bonds3

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

N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 569511) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID569511
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15-18-19-16(21-15)17-14(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20)
InChIKeySIHYHKOFZPWMHZ-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
Bcr-abl Inhibitor II
CID 3320547
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 2971416
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 569511) is N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is SIHYHKOFZPWMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15-18-19-16(21-15)17-14(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 569511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).