N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine

C14H18N2S — CID 104631791

IUPACN-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1nc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-10(9-15-11-6-7-11)8-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyQNNFBIRRGMSKOX-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine

N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine (PubChem CID 104631791) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
PubChem CID104631791
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1nc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-10(9-15-11-6-7-11)8-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyQNNFBIRRGMSKOX-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylmethyl)-4-methylpentyl]cyclopropanamine
CID 104631797
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
CID 63352973
2-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 104631808
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine (CID 104631791) is N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine?
The InChIKey is QNNFBIRRGMSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10(9-15-11-6-7-11)8-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine?
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine has a molecular weight of 246.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 104631791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).