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

C8H12N2S — CID 54592557

IUPAC1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCc1csc(C2(N)CCC2)n1
InChIInChI=1S/C8H12N2S/c1-6-5-11-7(10-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3
InChIKeyHHEVRCYVGOMCCU-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.79
Rot. Bonds1

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

1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 54592557) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID54592557
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCc1csc(C2(N)CCC2)n1
InChIInChI=1S/C8H12N2S/c1-6-5-11-7(10-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3
InChIKeyHHEVRCYVGOMCCU-UHFFFAOYSA-N
XLogP1.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine (CID 54592557) is 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine is Cc1csc(C2(N)CCC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is HHEVRCYVGOMCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-5-11-7(10-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 168.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 54592557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).