1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

C12H14ClN3OS — CID 119686687

IUPAC1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C12H13N3OS.ClH/c13-12(5-6-12)11(16)14-7-10-15-8-3-1-2-4-9(8)17-10;/h1-4H,5-7,13H2,(H,14,16);1H
InChIKeyJJASVNJJDLJNKN-UHFFFAOYSA-N
MW283.78 g/mol
LogP1.83
Rot. Bonds3

About 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119686687) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119686687
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C12H13N3OS.ClH/c13-12(5-6-12)11(16)14-7-10-15-8-3-1-2-4-9(8)17-10;/h1-4H,5-7,13H2,(H,14,16);1H
InChIKeyJJASVNJJDLJNKN-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 31101367
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 31846671
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (CID 119686687) is 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2nc3ccccc3s2)CC1.
What is the InChIKey of 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is JJASVNJJDLJNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS.ClH/c13-12(5-6-12)11(16)14-7-10-15-8-3-1-2-4-9(8)17-10;/h1-4H,5-7,13H2,(H,14,16);1H.
What are the key properties of 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119686687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).