1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane

C13H24N2OS — CID 144612164

IUPAC1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane
SMILESCCC.CCC(C)(C)Nc1scnc1C(C)=O
InChIInChI=1S/C10H16N2OS.C3H8/c1-5-10(3,4)12-9-8(7(2)13)11-6-14-9;1-3-2/h6,12H,5H2,1-4H3;3H2,1-2H3
InChIKeyHMISQQLOTMKSJB-UHFFFAOYSA-N
MW256.41 g/mol
LogP4.36
Rot. Bonds4

About 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane

1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane (PubChem CID 144612164) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane.

Molecular Properties

Compound Name1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane
PubChem CID144612164
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane
SMILESCCC.CCC(C)(C)Nc1scnc1C(C)=O
InChIInChI=1S/C10H16N2OS.C3H8/c1-5-10(3,4)12-9-8(7(2)13)11-6-14-9;1-3-2/h6,12H,5H2,1-4H3;3H2,1-2H3
InChIKeyHMISQQLOTMKSJB-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane?
The IUPAC name of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane (CID 144612164) is 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane.
What is the SMILES notation for 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane?
The canonical SMILES for 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane is CCC.CCC(C)(C)Nc1scnc1C(C)=O.
What is the InChIKey of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane?
The InChIKey is HMISQQLOTMKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.C3H8/c1-5-10(3,4)12-9-8(7(2)13)11-6-14-9;1-3-2/h6,12H,5H2,1-4H3;3H2,1-2H3.
What are the key properties of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane?
1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane has a molecular weight of 256.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone;propane is sourced from PubChem (CID 144612164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).