4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine

C9H14N2OS — CID 103558694

IUPAC4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESCOC1(Cc2csc(N)n2)CCC1
InChIInChI=1S/C9H14N2OS/c1-12-9(3-2-4-9)5-7-6-13-8(10)11-7/h6H,2-5H2,1H3,(H2,10,11)
InChIKeyMRGJSOKHWKMSKL-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.84
Rot. Bonds3

About 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine

4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine (PubChem CID 103558694) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
PubChem CID103558694
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESCOC1(Cc2csc(N)n2)CCC1
InChIInChI=1S/C9H14N2OS/c1-12-9(3-2-4-9)5-7-6-13-8(10)11-7/h6H,2-5H2,1H3,(H2,10,11)
InChIKeyMRGJSOKHWKMSKL-UHFFFAOYSA-N
XLogP1.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine (CID 103558694) is 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine is COC1(Cc2csc(N)n2)CCC1.
What is the InChIKey of 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MRGJSOKHWKMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-9(3-2-4-9)5-7-6-13-8(10)11-7/h6H,2-5H2,1H3,(H2,10,11).
What are the key properties of 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine?
4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103558694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).