N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine

C12H20N2S — CID 63121173

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
SMILESCC(C)(C)c1ncc(CNC2CCC2)s1
InChIInChI=1S/C12H20N2S/c1-12(2,3)11-14-8-10(15-11)7-13-9-5-4-6-9/h8-9,13H,4-7H2,1-3H3
InChIKeyXFUBRSDMJQVDMK-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.08
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine (PubChem CID 63121173) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
PubChem CID63121173
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
SMILESCC(C)(C)c1ncc(CNC2CCC2)s1
InChIInChI=1S/C12H20N2S/c1-12(2,3)11-14-8-10(15-11)7-13-9-5-4-6-9/h8-9,13H,4-7H2,1-3H3
InChIKeyXFUBRSDMJQVDMK-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63921924
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 63121163
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563595
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116774396
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95328357
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95610696
(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778624
(1R,2S)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71934982
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82710745

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine (CID 63121173) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine is CC(C)(C)c1ncc(CNC2CCC2)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine?
The InChIKey is XFUBRSDMJQVDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,3)11-14-8-10(15-11)7-13-9-5-4-6-9/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine has a molecular weight of 224.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine is sourced from PubChem (CID 63121173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).