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

C11H18N2S — CID 81017373

IUPACN-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCNCC1CCC1Cc1nc(C)cs1
InChIInChI=1S/C11H18N2S/c1-8-7-14-11(13-8)5-9-3-4-10(9)6-12-2/h7,9-10,12H,3-6H2,1-2H3
InChIKeyWREKCRBSDGACAY-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.24
Rot. Bonds4

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

N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 81017373) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID81017373
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCNCC1CCC1Cc1nc(C)cs1
InChIInChI=1S/C11H18N2S/c1-8-7-14-11(13-8)5-9-3-4-10(9)6-12-2/h7,9-10,12H,3-6H2,1-2H3
InChIKeyWREKCRBSDGACAY-UHFFFAOYSA-N
XLogP2.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine (CID 81017373) is N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine is CNCC1CCC1Cc1nc(C)cs1.
What is the InChIKey of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is WREKCRBSDGACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-7-14-11(13-8)5-9-3-4-10(9)6-12-2/h7,9-10,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine?
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81017373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).