1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone

C13H22N2OS — CID 55114088

IUPAC1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(CC(C)C)C(C)C)nc1C
InChIInChI=1S/C13H22N2OS/c1-8(2)7-15(9(3)4)13-14-10(5)12(17-13)11(6)16/h8-9H,7H2,1-6H3
InChIKeyLMVFPSPSTPSVGX-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.52
Rot. Bonds5

About 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 55114088) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
PubChem CID55114088
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(CC(C)C)C(C)C)nc1C
InChIInChI=1S/C13H22N2OS/c1-8(2)7-15(9(3)4)13-14-10(5)12(17-13)11(6)16/h8-9H,7H2,1-6H3
InChIKeyLMVFPSPSTPSVGX-UHFFFAOYSA-N
XLogP3.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone (CID 55114088) is 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(CC(C)C)C(C)C)nc1C.
What is the InChIKey of 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is LMVFPSPSTPSVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(2)7-15(9(3)4)13-14-10(5)12(17-13)11(6)16/h8-9H,7H2,1-6H3.
What are the key properties of 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 254.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 55114088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).