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

C12H20N2S — CID 104771672

IUPAC2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
SMILESCc1csc(C2CC2CNCC(C)C)n1
InChIInChI=1S/C12H20N2S/c1-8(2)5-13-6-10-4-11(10)12-14-9(3)7-15-12/h7-8,10-11,13H,4-6H2,1-3H3
InChIKeyPLAJKIGALDBMNE-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.80
Rot. Bonds5

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

2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine (PubChem CID 104771672) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
PubChem CID104771672
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
SMILESCc1csc(C2CC2CNCC(C)C)n1
InChIInChI=1S/C12H20N2S/c1-8(2)5-13-6-10-4-11(10)12-14-9(3)7-15-12/h7-8,10-11,13H,4-6H2,1-3H3
InChIKeyPLAJKIGALDBMNE-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine (CID 104771672) is 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine is Cc1csc(C2CC2CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is PLAJKIGALDBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)5-13-6-10-4-11(10)12-14-9(3)7-15-12/h7-8,10-11,13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 104771672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).