4-tert-butyl-1,3-benzothiazole-2-carboxamide

C12H14N2OS — CID 175765312

IUPAC4-tert-butyl-1,3-benzothiazole-2-carboxamide
SMILESCC(C)(C)c1cccc2sc(C(N)=O)nc12
InChIInChI=1S/C12H14N2OS/c1-12(2,3)7-5-4-6-8-9(7)14-11(16-8)10(13)15/h4-6H,1-3H3,(H2,13,15)
InChIKeyHQBVNWSYINQMDM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.69
Rot. Bonds1

About 4-tert-butyl-1,3-benzothiazole-2-carboxamide

4-tert-butyl-1,3-benzothiazole-2-carboxamide (PubChem CID 175765312) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-tert-butyl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-1,3-benzothiazole-2-carboxamide
PubChem CID175765312
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-tert-butyl-1,3-benzothiazole-2-carboxamide
SMILESCC(C)(C)c1cccc2sc(C(N)=O)nc12
InChIInChI=1S/C12H14N2OS/c1-12(2,3)7-5-4-6-8-9(7)14-11(16-8)10(13)15/h4-6H,1-3H3,(H2,13,15)
InChIKeyHQBVNWSYINQMDM-UHFFFAOYSA-N
XLogP2.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,3-benzothiazole-2-carboxamide
CID 22283388
2,4-ditert-butyl-1,3-benzothiazole
CID 150117691
8-tert-butyl-4-methylquinoline-2-carboxamide
CID 82574016
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide
CID 45076989
5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide
CID 141094481
3-(4-tert-butyl-1,3-benzothiazol-2-yl)piperidine-2,6-dione
CID 170132903
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
2-(8-tert-butyl-2-methylquinolin-4-yl)acetamide
CID 82575405
2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 119087334
2-(2-tert-butyl-1,3-benzothiazol-4-yl)propanoic acid
CID 117413383
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4-tert-butyl-1,3-benzothiazole-2-carboxamide (CID 175765312) is 4-tert-butyl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4-tert-butyl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4-tert-butyl-1,3-benzothiazole-2-carboxamide is CC(C)(C)c1cccc2sc(C(N)=O)nc12.
What is the InChIKey of 4-tert-butyl-1,3-benzothiazole-2-carboxamide?
The InChIKey is HQBVNWSYINQMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-12(2,3)7-5-4-6-8-9(7)14-11(16-8)10(13)15/h4-6H,1-3H3,(H2,13,15).
What are the key properties of 4-tert-butyl-1,3-benzothiazole-2-carboxamide?
4-tert-butyl-1,3-benzothiazole-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 175765312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).