1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine

C10H16N2S — CID 115765812

IUPAC1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1csc(CNC2(C)CCC2)n1
InChIInChI=1S/C10H16N2S/c1-8-7-13-9(12-8)6-11-10(2)4-3-5-10/h7,11H,3-6H2,1-2H3
InChIKeyUUISFFNSFKJHIC-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.48
Rot. Bonds3

About 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine

1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 115765812) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID115765812
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1csc(CNC2(C)CCC2)n1
InChIInChI=1S/C10H16N2S/c1-8-7-13-9(12-8)6-11-10(2)4-3-5-10/h7,11H,3-6H2,1-2H3
InChIKeyUUISFFNSFKJHIC-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine (CID 115765812) is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine is Cc1csc(CNC2(C)CCC2)n1.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is UUISFFNSFKJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-7-13-9(12-8)6-11-10(2)4-3-5-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine?
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115765812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).