3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide

C20H20N4O2S — CID 4563108

IUPAC3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C20H20N4O2S/c1-20(2,3)18-23-24-19(27-18)22-17(26)14-10-7-11-15(12-14)21-16(25)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,21,25)(H,22,24,26)
InChIKeyUJZBMCPZGHPYRV-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.34
Rot. Bonds4

About 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide

3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 4563108) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID4563108
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C20H20N4O2S/c1-20(2,3)18-23-24-19(27-18)22-17(26)14-10-7-11-15(12-14)21-16(25)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,21,25)(H,22,24,26)
InChIKeyUJZBMCPZGHPYRV-UHFFFAOYSA-N
XLogP4.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide
CID 55954381
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
3-benzamido-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1302353
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45269218
3-benzamido-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide;hydrochloride
CID 163329002
3-[(4-nitrobenzoyl)amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45018627
4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153333
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide (CID 4563108) is 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)(C)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UJZBMCPZGHPYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-20(2,3)18-23-24-19(27-18)22-17(26)14-10-7-11-15(12-14)21-16(25)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,21,25)(H,22,24,26).
What are the key properties of 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide?
3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 4563108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).