3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol

C12H20N2OS — CID 102846790

IUPAC3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCCc1csc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C12H20N2OS/c1-2-10-9-16-12(13-10)14(7-4-8-15)11-5-3-6-11/h9,11,15H,2-8H2,1H3
InChIKeyOROHZQYYFLLSPD-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.45
Rot. Bonds6

About 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol

3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol (PubChem CID 102846790) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
PubChem CID102846790
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCCc1csc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C12H20N2OS/c1-2-10-9-16-12(13-10)14(7-4-8-15)11-5-3-6-11/h9,11,15H,2-8H2,1H3
InChIKeyOROHZQYYFLLSPD-UHFFFAOYSA-N
XLogP2.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol (CID 102846790) is 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol is CCc1csc(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The InChIKey is OROHZQYYFLLSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10-9-16-12(13-10)14(7-4-8-15)11-5-3-6-11/h9,11,15H,2-8H2,1H3.
What are the key properties of 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol?
3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-(4-ethyl-1,3-thiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 102846790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).