3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine

C12H20N2S — CID 107925920

IUPAC3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCC(N)C(C)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C12H20N2S/c1-7(8(2)13)10-6-15-11(14-10)9-5-12(9,3)4/h6-9H,5,13H2,1-4H3
InChIKeyJQSNEPIGDVGDRB-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.11
Rot. Bonds3

About 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine

3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 107925920) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine
PubChem CID107925920
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCC(N)C(C)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C12H20N2S/c1-7(8(2)13)10-6-15-11(14-10)9-5-12(9,3)4/h6-9H,5,13H2,1-4H3
InChIKeyJQSNEPIGDVGDRB-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]propan-2-amine
CID 107925925
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
CID 107924759
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
5-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114016544
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
CID 107925301
(2,2-dimethylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanamine
CID 130571376

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine (CID 107925920) is 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine is CC(N)C(C)c1csc(C2CC2(C)C)n1.
What is the InChIKey of 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is JQSNEPIGDVGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-7(8(2)13)10-6-15-11(14-10)9-5-12(9,3)4/h6-9H,5,13H2,1-4H3.
What are the key properties of 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine?
3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]butan-2-amine is sourced from PubChem (CID 107925920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).