2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol

C9H14N2OS — CID 126856653

IUPAC2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
SMILESCc1csc(N(C)C2CCC2O)n1
InChIInChI=1S/C9H14N2OS/c1-6-5-13-9(10-6)11(2)7-3-4-8(7)12/h5,7-8,12H,3-4H2,1-2H3
InChIKeyCOFYIVPHOSPVCB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.41
Rot. Bonds2

About 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol

2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol (PubChem CID 126856653) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
PubChem CID126856653
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
SMILESCc1csc(N(C)C2CCC2O)n1
InChIInChI=1S/C9H14N2OS/c1-6-5-13-9(10-6)11(2)7-3-4-8(7)12/h5,7-8,12H,3-4H2,1-2H3
InChIKeyCOFYIVPHOSPVCB-UHFFFAOYSA-N
XLogP1.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol (CID 126856653) is 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol is Cc1csc(N(C)C2CCC2O)n1.
What is the InChIKey of 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol?
The InChIKey is COFYIVPHOSPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-5-13-9(10-6)11(2)7-3-4-8(7)12/h5,7-8,12H,3-4H2,1-2H3.
What are the key properties of 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol?
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 126856653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).