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

C14H17N3OS — CID 741024

IUPAC4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-9-16-17-13(19-9)15-12(18)10-5-7-11(8-6-10)14(2,3)4/h5-8H,1-4H3,(H,15,17,18)
InChIKeyUOQFLDJSHZFGPJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.40
Rot. Bonds2

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

4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 741024) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID741024
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-9-16-17-13(19-9)15-12(18)10-5-7-11(8-6-10)14(2,3)4/h5-8H,1-4H3,(H,15,17,18)
InChIKeyUOQFLDJSHZFGPJ-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
4-tert-butyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3558072
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
4-tert-butyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44791738

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 741024) is 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UOQFLDJSHZFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-16-17-13(19-9)15-12(18)10-5-7-11(8-6-10)14(2,3)4/h5-8H,1-4H3,(H,15,17,18).
What are the key properties of 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 275.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 741024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).