4-tert-butyl-N-(thiatriazol-5-yl)benzamide

C12H14N4OS — CID 19114244

IUPAC4-tert-butyl-N-(thiatriazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C12H14N4OS/c1-12(2,3)9-6-4-8(5-7-9)10(17)13-11-14-15-16-18-11/h4-7H,1-3H3,(H,13,14,16,17)
InChIKeyXZJQWZPRXCQQGC-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.48
Rot. Bonds2

About 4-tert-butyl-N-(thiatriazol-5-yl)benzamide

4-tert-butyl-N-(thiatriazol-5-yl)benzamide (PubChem CID 19114244) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(thiatriazol-5-yl)benzamide
PubChem CID19114244
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-tert-butyl-N-(thiatriazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nnns2)cc1
InChIInChI=1S/C12H14N4OS/c1-12(2,3)9-6-4-8(5-7-9)10(17)13-11-14-15-16-18-11/h4-7H,1-3H3,(H,13,14,16,17)
InChIKeyXZJQWZPRXCQQGC-UHFFFAOYSA-N
XLogP2.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114913629
4-pentoxy-N-(thiatriazol-5-yl)benzamide
CID 19114286
4-prop-2-enoxy-N-(thiatriazol-5-yl)benzamide
CID 19114290
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
2-amino-2-methyl-N-(thiatriazol-5-yl)propanamide
CID 114912485
6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914340

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(thiatriazol-5-yl)benzamide (CID 19114244) is 4-tert-butyl-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(thiatriazol-5-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-tert-butyl-N-(thiatriazol-5-yl)benzamide?
The InChIKey is XZJQWZPRXCQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-12(2,3)9-6-4-8(5-7-9)10(17)13-11-14-15-16-18-11/h4-7H,1-3H3,(H,13,14,16,17).
What are the key properties of 4-tert-butyl-N-(thiatriazol-5-yl)benzamide?
4-tert-butyl-N-(thiatriazol-5-yl)benzamide has a molecular weight of 262.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 19114244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).