1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine

C12H20N2S — CID 103563880

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine
SMILESCC1CC(N)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C12H20N2S/c1-8-5-12(13,6-8)10-14-9(7-15-10)11(2,3)4/h7-8H,5-6,13H2,1-4H3
InChIKeyYHPZVARDQORABI-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.02
Rot. Bonds1

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine (PubChem CID 103563880) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine
PubChem CID103563880
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine
SMILESCC1CC(N)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C12H20N2S/c1-8-5-12(13,6-8)10-14-9(7-15-10)11(2,3)4/h7-8H,5-6,13H2,1-4H3
InChIKeyYHPZVARDQORABI-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563879
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449609
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753474
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63405772
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
CID 65088642
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine
CID 63405309
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64751126
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,5-dimethylcyclohexan-1-amine
CID 64755801
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 64754163
6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632916
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103563897
3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563874

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine (CID 103563880) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine is CC1CC(N)(c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine?
The InChIKey is YHPZVARDQORABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-5-12(13,6-8)10-14-9(7-15-10)11(2,3)4/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 103563880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).