N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine

C11H16N2S — CID 79340107

IUPACN-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1cnc(C)s1)CNC1CC1
InChIInChI=1S/C11H16N2S/c1-8(6-13-10-3-4-10)5-11-7-12-9(2)14-11/h5,7,10,13H,3-4,6H2,1-2H3
InChIKeyWAUIZKIPERNRKC-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.61
Rot. Bonds4

About N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine

N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine (PubChem CID 79340107) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
PubChem CID79340107
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1cnc(C)s1)CNC1CC1
InChIInChI=1S/C11H16N2S/c1-8(6-13-10-3-4-10)5-11-7-12-9(2)14-11/h5,7,10,13H,3-4,6H2,1-2H3
InChIKeyWAUIZKIPERNRKC-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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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine (CID 79340107) is N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine is CC(=Cc1cnc(C)s1)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is WAUIZKIPERNRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8(6-13-10-3-4-10)5-11-7-12-9(2)14-11/h5,7,10,13H,3-4,6H2,1-2H3.
What are the key properties of N-[2-methyl-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine?
N-[2-methyl-3-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).