4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide

C14H16N4O2S — CID 55978390

IUPAC4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2ccc(C(N)=O)cc2)s1
InChIInChI=1S/C14H16N4O2S/c1-14(2,3)12-17-18-13(21-12)16-11(20)9-6-4-8(5-7-9)10(15)19/h4-7H,1-3H3,(H2,15,19)(H,16,18,20)
InChIKeyONKLAHTVQNVWNK-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.19
Rot. Bonds3

About 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide

4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 55978390) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID55978390
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2ccc(C(N)=O)cc2)s1
InChIInChI=1S/C14H16N4O2S/c1-14(2,3)12-17-18-13(21-12)16-11(20)9-6-4-8(5-7-9)10(15)19/h4-7H,1-3H3,(H2,15,19)(H,16,18,20)
InChIKeyONKLAHTVQNVWNK-UHFFFAOYSA-N
XLogP2.19
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzamido-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4563108
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45269218
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47316958
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-nitrobenzamide
CID 67040350
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55953228
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
CID 45495848
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
CID 47316960
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(propylsulfonylamino)benzamide
CID 55954381
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 55907019

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide (CID 55978390) is 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide is CC(C)(C)c1nnc(NC(=O)c2ccc(C(N)=O)cc2)s1.
What is the InChIKey of 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is ONKLAHTVQNVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-14(2,3)12-17-18-13(21-12)16-11(20)9-6-4-8(5-7-9)10(15)19/h4-7H,1-3H3,(H2,15,19)(H,16,18,20).
What are the key properties of 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide?
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 55978390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).