[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine

C12H20N2S — CID 116969441

IUPAC[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCC(C)c1csc(CC2(CN)CCC2)n1
InChIInChI=1S/C12H20N2S/c1-9(2)10-7-15-11(14-10)6-12(8-13)4-3-5-12/h7,9H,3-6,8,13H2,1-2H3
InChIKeyILPNOZVEQYQUTO-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.94
Rot. Bonds4

About [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine

[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 116969441) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID116969441
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCC(C)c1csc(CC2(CN)CCC2)n1
InChIInChI=1S/C12H20N2S/c1-9(2)10-7-15-11(14-10)6-12(8-13)4-3-5-12/h7,9H,3-6,8,13H2,1-2H3
InChIKeyILPNOZVEQYQUTO-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine (CID 116969441) is [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine is CC(C)c1csc(CC2(CN)CCC2)n1.
What is the InChIKey of [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is ILPNOZVEQYQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)10-7-15-11(14-10)6-12(8-13)4-3-5-12/h7,9H,3-6,8,13H2,1-2H3.
What are the key properties of [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 116969441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).