N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine

C9H14N2S — CID 130892936

IUPACN-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
SMILESCNCC1CC1c1ncc(C)s1
InChIInChI=1S/C9H14N2S/c1-6-4-11-9(12-6)8-3-7(8)5-10-2/h4,7-8,10H,3,5H2,1-2H3
InChIKeyWCMAXNFMFPXZMF-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine

N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine (PubChem CID 130892936) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
PubChem CID130892936
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
SMILESCNCC1CC1c1ncc(C)s1
InChIInChI=1S/C9H14N2S/c1-6-4-11-9(12-6)8-3-7(8)5-10-2/h4,7-8,10H,3,5H2,1-2H3
InChIKeyWCMAXNFMFPXZMF-UHFFFAOYSA-N
XLogP1.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine (CID 130892936) is N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine is CNCC1CC1c1ncc(C)s1.
What is the InChIKey of N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine?
The InChIKey is WCMAXNFMFPXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6-4-11-9(12-6)8-3-7(8)5-10-2/h4,7-8,10H,3,5H2,1-2H3.
What are the key properties of N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine?
N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 130892936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).