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

C10H16N2OS — CID 90147656

IUPAC1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone
SMILESCCC(C)(C)Nc1scnc1C(C)=O
InChIInChI=1S/C10H16N2OS/c1-5-10(3,4)12-9-8(7(2)13)11-6-14-9/h6,12H,5H2,1-4H3
InChIKeyLOSXFBMOPTUUBP-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.95
Rot. Bonds4

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

1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone (PubChem CID 90147656) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone
PubChem CID90147656
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone
SMILESCCC(C)(C)Nc1scnc1C(C)=O
InChIInChI=1S/C10H16N2OS/c1-5-10(3,4)12-9-8(7(2)13)11-6-14-9/h6,12H,5H2,1-4H3
InChIKeyLOSXFBMOPTUUBP-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.95
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?
The IUPAC name of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone (CID 90147656) is 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone is CCC(C)(C)Nc1scnc1C(C)=O.
What is the InChIKey of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is LOSXFBMOPTUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-5-10(3,4)12-9-8(7(2)13)11-6-14-9/h6,12H,5H2,1-4H3.
What are the key properties of 1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone?
1-[5-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 212.32 g/mol, XLogP of 2.95, 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 is sourced from PubChem (CID 90147656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).