1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone

C11H18N2OS — CID 63965723

IUPAC1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCCC(C)(C)N(C)c1ncc(C(C)=O)s1
InChIInChI=1S/C11H18N2OS/c1-6-11(3,4)13(5)10-12-7-9(15-10)8(2)14/h7H,6H2,1-5H3
InChIKeyYQCZNMDWBBETBB-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone

1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 63965723) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID63965723
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCCC(C)(C)N(C)c1ncc(C(C)=O)s1
InChIInChI=1S/C11H18N2OS/c1-6-11(3,4)13(5)10-12-7-9(15-10)8(2)14/h7H,6H2,1-5H3
InChIKeyYQCZNMDWBBETBB-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone (CID 63965723) is 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone is CCC(C)(C)N(C)c1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is YQCZNMDWBBETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-6-11(3,4)13(5)10-12-7-9(15-10)8(2)14/h7H,6H2,1-5H3.
What are the key properties of 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 226.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 63965723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).