N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C12H20N2S — CID 107925558

IUPACN-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(C2CC2(C)C)n1
InChIInChI=1S/C12H20N2S/c1-8(2)13-6-9-7-15-11(14-9)10-5-12(10,3)4/h7-8,10,13H,5-6H2,1-4H3
InChIKeyQZUFMRYPJPZWQG-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.15
Rot. Bonds4

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

N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 107925558) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID107925558
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(C2CC2(C)C)n1
InChIInChI=1S/C12H20N2S/c1-8(2)13-6-9-7-15-11(14-9)10-5-12(10,3)4/h7-8,10,13H,5-6H2,1-4H3
InChIKeyQZUFMRYPJPZWQG-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 79965401
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
N-[[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 113299783
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 130632484
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 79089440

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 107925558) is N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(C2CC2(C)C)n1.
What is the InChIKey of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is QZUFMRYPJPZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)13-6-9-7-15-11(14-9)10-5-12(10,3)4/h7-8,10,13H,5-6H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107925558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).