N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine

C11H19N3S — CID 66390766

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1csc(CCN)n1
InChIInChI=1S/C11H19N3S/c1-11(2)5-9(11)13-6-8-7-15-10(14-8)3-4-12/h7,9,13H,3-6,12H2,1-2H3
InChIKeyABBQNNPUPMAHGU-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.53
Rot. Bonds5

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 66390766) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID66390766
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1csc(CCN)n1
InChIInChI=1S/C11H19N3S/c1-11(2)5-9(11)13-6-8-7-15-10(14-8)3-4-12/h7,9,13H,3-6,12H2,1-2H3
InChIKeyABBQNNPUPMAHGU-UHFFFAOYSA-N
XLogP1.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66390760
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114159739
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
CID 99580177
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385881
2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82090307
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 66390375
2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386486
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 81422509
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66380830

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine (CID 66390766) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCc1csc(CCN)n1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is ABBQNNPUPMAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2)5-9(11)13-6-8-7-15-10(14-8)3-4-12/h7,9,13H,3-6,12H2,1-2H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 66390766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).