N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C11H18N2S — CID 43670306

IUPACN-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCC2CCC2)cs1
InChIInChI=1S/C11H18N2S/c1-8(11-7-14-9(2)13-11)12-6-10-4-3-5-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyIIMDJABDSDIOAU-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.90
Rot. Bonds4

About N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43670306) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43670306
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCC2CCC2)cs1
InChIInChI=1S/C11H18N2S/c1-8(11-7-14-9(2)13-11)12-6-10-4-3-5-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyIIMDJABDSDIOAU-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
CID 63314805
N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60981235
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103822890
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
2-cyclohexyl-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105135487
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
1-(2-methyl-1,3-thiazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80726824
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 43670306) is N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCC2CCC2)cs1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is IIMDJABDSDIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(11-7-14-9(2)13-11)12-6-10-4-3-5-10/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43670306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).