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

C11H16N2S — CID 104772212

IUPACN-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1nc(C)cs1)CNC1CC1
InChIInChI=1S/C11H16N2S/c1-8(6-12-10-3-4-10)5-11-13-9(2)7-14-11/h5,7,10,12H,3-4,6H2,1-2H3
InChIKeyYORPIHKOMGADAI-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.61
Rot. Bonds4

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

N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 104772212) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID104772212
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1nc(C)cs1)CNC1CC1
InChIInChI=1S/C11H16N2S/c1-8(6-12-10-3-4-10)5-11-13-9(2)7-14-11/h5,7,10,12H,3-4,6H2,1-2H3
InChIKeyYORPIHKOMGADAI-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772211
N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
CID 79340845
4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
CID 104855405
N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
CID 79340107
2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772220
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
CID 104772187
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N-[3-(3-ethylimidazol-4-yl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340116
N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
CID 104771669
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 54912882
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine (CID 104772212) is N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine is CC(=Cc1nc(C)cs1)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is YORPIHKOMGADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8(6-12-10-3-4-10)5-11-13-9(2)7-14-11/h5,7,10,12H,3-4,6H2,1-2H3.
What are the key properties of N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine?
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 208.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 104772212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).