benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine

C15H20N2S — CID 142924405

IUPACbenzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine
SMILESCNC1(c2csc(C)n2)CCC1.c1ccccc1
InChIInChI=1S/C9H14N2S.C6H6/c1-7-11-8(6-12-7)9(10-2)4-3-5-9;1-2-4-6-5-3-1/h6,10H,3-5H2,1-2H3;1-6H
InChIKeyILVPQYSNBSBMJJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.74
Rot. Bonds2

About benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine

benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine (PubChem CID 142924405) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Namebenzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine
PubChem CID142924405
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Namebenzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine
SMILESCNC1(c2csc(C)n2)CCC1.c1ccccc1
InChIInChI=1S/C9H14N2S.C6H6/c1-7-11-8(6-12-7)9(10-2)4-3-5-9;1-2-4-6-5-3-1/h6,10H,3-5H2,1-2H3;1-6H
InChIKeyILVPQYSNBSBMJJ-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
The IUPAC name of benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine (CID 142924405) is benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine is CNC1(c2csc(C)n2)CCC1.c1ccccc1.
What is the InChIKey of benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
The InChIKey is ILVPQYSNBSBMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C6H6/c1-7-11-8(6-12-7)9(10-2)4-3-5-9;1-2-4-6-5-3-1/h6,10H,3-5H2,1-2H3;1-6H.
What are the key properties of benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 142924405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).