[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine

C9H14N2S — CID 130488627

IUPAC[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine
SMILESCC1(C)C(CN)C1c1cscn1
InChIInChI=1S/C9H14N2S/c1-9(2)6(3-10)8(9)7-4-12-5-11-7/h4-6,8H,3,10H2,1-2H3
InChIKeyWZIBNNSIAJELGE-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.84
Rot. Bonds2

About [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine

[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine (PubChem CID 130488627) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine
PubChem CID130488627
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine
SMILESCC1(C)C(CN)C1c1cscn1
InChIInChI=1S/C9H14N2S/c1-9(2)6(3-10)8(9)7-4-12-5-11-7/h4-6,8H,3,10H2,1-2H3
InChIKeyWZIBNNSIAJELGE-UHFFFAOYSA-N
XLogP1.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-(1,3-thiazol-4-yl)cyclopropyl]methanamine;dihydrochloride
CID 170914085
[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197458
[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197137
4-(3-ethyl-3-methylazetidin-2-yl)-1,3-thiazole
CID 130575141
[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197172
1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
CID 175802168
[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
CID 130488636
4-[3-(aminomethyl)-2,2-dimethylcyclopropyl]benzene-1,2-diol
CID 83485744
[(1S,3S)-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)cyclopropyl]methanamine
CID 178197607
1,3-thiazol-4-ylmethyl acetate
CID 45117618
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-amine
CID 170805717
3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline
CID 18788468

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine (CID 130488627) is [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine is CC1(C)C(CN)C1c1cscn1.
What is the InChIKey of [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine?
The InChIKey is WZIBNNSIAJELGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2)6(3-10)8(9)7-4-12-5-11-7/h4-6,8H,3,10H2,1-2H3.
What are the key properties of [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine?
[2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(1,3-thiazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 130488627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).