2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride

C13H18ClN3OS — CID 119734502

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc2ncsc2c1.Cl
InChIInChI=1S/C13H17N3OS.ClH/c1-3-6-13(2,14)12(17)16-9-4-5-10-11(7-9)18-8-15-10;/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17);1H
InChIKeyBZUPFCCZIBKKJG-UHFFFAOYSA-N
MW299.83 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride (PubChem CID 119734502) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
PubChem CID119734502
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc2ncsc2c1.Cl
InChIInChI=1S/C13H17N3OS.ClH/c1-3-6-13(2,14)12(17)16-9-4-5-10-11(7-9)18-8-15-10;/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17);1H
InChIKeyBZUPFCCZIBKKJG-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
CID 119677119
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride (CID 119734502) is 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc2ncsc2c1.Cl.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride?
The InChIKey is BZUPFCCZIBKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS.ClH/c1-3-6-13(2,14)12(17)16-9-4-5-10-11(7-9)18-8-15-10;/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride?
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride has a molecular weight of 299.83 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119734502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).