1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine

C10H9ClN2S — CID 65465187

IUPAC1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine
SMILESNC1(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C10H9ClN2S/c11-6-1-2-8-7(5-6)13-9(14-8)10(12)3-4-10/h1-2,5H,3-4,12H2
InChIKeyKWCTWFLZCGDLTE-UHFFFAOYSA-N
MW224.72 g/mol
LogP2.90
Rot. Bonds1

About 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine

1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine (PubChem CID 65465187) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine
PubChem CID65465187
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine
SMILESNC1(c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C10H9ClN2S/c11-6-1-2-8-7(5-6)13-9(14-8)10(12)3-4-10/h1-2,5H,3-4,12H2
InChIKeyKWCTWFLZCGDLTE-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 79527764
1-(6-chloro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 79528035
[1-(5-chloro-1,3-benzothiazol-2-yl)cyclobutyl]methanamine
CID 115445980
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
ethyl 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
CID 79472385
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5-chloro-1,3-benzothiazole-2-sulfonamide
CID 71551260
1-(6-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79534201
1-(7-chloroquinazolin-4-yl)cyclopropan-1-amine
CID 105475082
3-methyl-1-(5-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61290909
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine (CID 65465187) is 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine is NC1(c2nc3cc(Cl)ccc3s2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine?
The InChIKey is KWCTWFLZCGDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-6-1-2-8-7(5-6)13-9(14-8)10(12)3-4-10/h1-2,5H,3-4,12H2.
What are the key properties of 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine?
1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine has a molecular weight of 224.72 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzothiazol-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 65465187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).