N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine

C15H18N2S — CID 105189104

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1scnc1C)C1CC1c1ccccc1
InChIInChI=1S/C15H18N2S/c1-10-15(18-9-17-10)14(16-2)13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-14,16H,8H2,1-2H3
InChIKeyXZMMVZFYZIAKLJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.52
Rot. Bonds4

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105189104) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
PubChem CID105189104
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1scnc1C)C1CC1c1ccccc1
InChIInChI=1S/C15H18N2S/c1-10-15(18-9-17-10)14(16-2)13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-14,16H,8H2,1-2H3
InChIKeyXZMMVZFYZIAKLJ-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 114031727
N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105189051
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105153878
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517909
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052563

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine (CID 105189104) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine is CNC(c1scnc1C)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is XZMMVZFYZIAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-15(18-9-17-10)14(16-2)13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-14,16H,8H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105189104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).