1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone

C13H22N2OS — CID 64544424

IUPAC1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCCCCN(c1nc(C(C)=O)cs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-6-7-8-15(10(2)3)13-14-12(9-17-13)11(4)16/h9-10H,5-8H2,1-4H3
InChIKeyISEUSJNPLRIQTF-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.75
Rot. Bonds7

About 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64544424) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64544424
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCCCCN(c1nc(C(C)=O)cs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-6-7-8-15(10(2)3)13-14-12(9-17-13)11(4)16/h9-10H,5-8H2,1-4H3
InChIKeyISEUSJNPLRIQTF-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone (CID 64544424) is 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone is CCCCCN(c1nc(C(C)=O)cs1)C(C)C.
What is the InChIKey of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is ISEUSJNPLRIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-6-7-8-15(10(2)3)13-14-12(9-17-13)11(4)16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 254.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).