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

C15H19N3S — CID 66354897

IUPACN-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(N3CCCC3CNC3CC3)snc2c1
InChIInChI=1S/C15H19N3S/c1-2-6-14-13(5-1)15(19-17-14)18-9-3-4-12(18)10-16-11-7-8-11/h1-2,5-6,11-12,16H,3-4,7-10H2
InChIKeyJNKXEDOVWJWRRC-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.02
Rot. Bonds4

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

N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 66354897) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID66354897
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(N3CCCC3CNC3CC3)snc2c1
InChIInChI=1S/C15H19N3S/c1-2-6-14-13(5-1)15(19-17-14)18-9-3-4-12(18)10-16-11-7-8-11/h1-2,5-6,11-12,16H,3-4,7-10H2
InChIKeyJNKXEDOVWJWRRC-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62591283
1-(2,1-benzothiazol-3-yl)azepane-2-carboxylic acid
CID 66356548
N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62592511
[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
CID 62814996
N-[[1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62734377
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 107305944
3-(4-chloropiperidin-1-yl)-2,1-benzothiazole
CID 66356181
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
1-(2,1-benzothiazol-3-yl)piperidine-3-carbaldehyde
CID 66353435
N-methyl-1-(1-quinolin-4-ylpyrrolidin-2-yl)methanamine
CID 62585638
N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62734943
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 106535594

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine (CID 66354897) is N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine is c1ccc2c(N3CCCC3CNC3CC3)snc2c1.
What is the InChIKey of N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is JNKXEDOVWJWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-6-14-13(5-1)15(19-17-14)18-9-3-4-12(18)10-16-11-7-8-11/h1-2,5-6,11-12,16H,3-4,7-10H2.
What are the key properties of N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 273.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,1-benzothiazol-3-yl)pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66354897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).