N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine

C11H16N2S — CID 61334262

IUPACN-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)(c1nccs1)C1CC1
InChIInChI=1S/C11H16N2S/c1-11(8-2-3-8,13-9-4-5-9)10-12-6-7-14-10/h6-9,13H,2-5H2,1H3
InChIKeyURLLFRIPTAGGBX-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.52
Rot. Bonds4

About N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine

N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine (PubChem CID 61334262) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
PubChem CID61334262
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)(c1nccs1)C1CC1
InChIInChI=1S/C11H16N2S/c1-11(8-2-3-8,13-9-4-5-9)10-12-6-7-14-10/h6-9,13H,2-5H2,1H3
InChIKeyURLLFRIPTAGGBX-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine (CID 61334262) is N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine is CC(NC1CC1)(c1nccs1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is URLLFRIPTAGGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-11(8-2-3-8,13-9-4-5-9)10-12-6-7-14-10/h6-9,13H,2-5H2,1H3.
What are the key properties of N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 208.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 61334262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).