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

C11H16N2S — CID 104771669

IUPACN-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
SMILESCc1csc(C2CC2CNC2CC2)n1
InChIInChI=1S/C11H16N2S/c1-7-6-14-11(13-7)10-4-8(10)5-12-9-2-3-9/h6,8-10,12H,2-5H2,1H3
InChIKeyXQBYWOURNISACZ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.31
Rot. Bonds4

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

N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 104771669) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
PubChem CID104771669
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
SMILESCc1csc(C2CC2CNC2CC2)n1
InChIInChI=1S/C11H16N2S/c1-7-6-14-11(13-7)10-4-8(10)5-12-9-2-3-9/h6,8-10,12H,2-5H2,1H3
InChIKeyXQBYWOURNISACZ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine (CID 104771669) is N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine is Cc1csc(C2CC2CNC2CC2)n1.
What is the InChIKey of N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is XQBYWOURNISACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-6-14-11(13-7)10-4-8(10)5-12-9-2-3-9/h6,8-10,12H,2-5H2,1H3.
What are the key properties of N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine?
N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 208.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 104771669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).