2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride

C13H18ClN3OS — CID 119317982

IUPAC2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
SMILESCC(C)(C)c1nc2ccc(NC(=O)CN)cc2s1.Cl
InChIInChI=1S/C13H17N3OS.ClH/c1-13(2,3)12-16-9-5-4-8(6-10(9)18-12)15-11(17)7-14;/h4-6H,7,14H2,1-3H3,(H,15,17);1H
InChIKeyVEXQTOHVGLCLPC-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride

2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride (PubChem CID 119317982) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
PubChem CID119317982
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
SMILESCC(C)(C)c1nc2ccc(NC(=O)CN)cc2s1.Cl
InChIInChI=1S/C13H17N3OS.ClH/c1-13(2,3)12-16-9-5-4-8(6-10(9)18-12)15-11(17)7-14;/h4-6H,7,14H2,1-3H3,(H,15,17);1H
InChIKeyVEXQTOHVGLCLPC-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide
CID 119773991
(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
CID 119317979
N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119774008
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]carbamic acid
CID 138505851
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 99802369
3-(2-tert-butyl-1,3-benzothiazol-6-yl)propanoic acid
CID 117413315
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride (CID 119317982) is 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride is CC(C)(C)c1nc2ccc(NC(=O)CN)cc2s1.Cl.
What is the InChIKey of 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride?
The InChIKey is VEXQTOHVGLCLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS.ClH/c1-13(2,3)12-16-9-5-4-8(6-10(9)18-12)15-11(17)7-14;/h4-6H,7,14H2,1-3H3,(H,15,17);1H.
What are the key properties of 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride?
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride has a molecular weight of 299.83 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 119317982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).