1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine

C11H16N2S — CID 116887451

IUPAC1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
SMILESCc1nc(C2CCC2)sc1C1(N)CC1
InChIInChI=1S/C11H16N2S/c1-7-9(11(12)5-6-11)14-10(13-7)8-3-2-4-8/h8H,2-6,12H2,1H3
InChIKeyBDYKJRCUVVBYTR-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.67
Rot. Bonds2

About 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine

1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine (PubChem CID 116887451) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
PubChem CID116887451
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
SMILESCc1nc(C2CCC2)sc1C1(N)CC1
InChIInChI=1S/C11H16N2S/c1-7-9(11(12)5-6-11)14-10(13-7)8-3-2-4-8/h8H,2-6,12H2,1H3
InChIKeyBDYKJRCUVVBYTR-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine (CID 116887451) is 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine is Cc1nc(C2CCC2)sc1C1(N)CC1.
What is the InChIKey of 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
The InChIKey is BDYKJRCUVVBYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-9(11(12)5-6-11)14-10(13-7)8-3-2-4-8/h8H,2-6,12H2,1H3.
What are the key properties of 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine?
1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 116887451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).