N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

C12H19N3S — CID 116965296

IUPACN-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCN1CCC(c2csc(CNC3CC3)n2)C1
InChIInChI=1S/C12H19N3S/c1-15-5-4-9(7-15)11-8-16-12(14-11)6-13-10-2-3-10/h8-10,13H,2-7H2,1H3
InChIKeyLXZFRGYOGMWEPA-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.81
Rot. Bonds4

About N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 116965296) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID116965296
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCN1CCC(c2csc(CNC3CC3)n2)C1
InChIInChI=1S/C12H19N3S/c1-15-5-4-9(7-15)11-8-16-12(14-11)6-13-10-2-3-10/h8-10,13H,2-7H2,1H3
InChIKeyLXZFRGYOGMWEPA-UHFFFAOYSA-N
XLogP1.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 116965296) is N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is CN1CCC(c2csc(CNC3CC3)n2)C1.
What is the InChIKey of N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is LXZFRGYOGMWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15-5-4-9(7-15)11-8-16-12(14-11)6-13-10-2-3-10/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 237.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116965296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).