methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate

C14H24N2O2S — CID 112752454

IUPACmethyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
SMILESCCC(C)Nc1nc(C(CC)(CC)C(=O)OC)cs1
InChIInChI=1S/C14H24N2O2S/c1-6-10(4)15-13-16-11(9-19-13)14(7-2,8-3)12(17)18-5/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyKSQDXUSAJLREKW-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.58
Rot. Bonds7

About methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate

methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate (PubChem CID 112752454) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
PubChem CID112752454
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Namemethyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate
SMILESCCC(C)Nc1nc(C(CC)(CC)C(=O)OC)cs1
InChIInChI=1S/C14H24N2O2S/c1-6-10(4)15-13-16-11(9-19-13)14(7-2,8-3)12(17)18-5/h9-10H,6-8H2,1-5H3,(H,15,16)
InChIKeyKSQDXUSAJLREKW-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate with MolForge

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Related Compounds

2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
2-[2-[(1-methoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369939
methyl 2-methyl-2-[2-(2-methylpropylsulfonylamino)-1,3-thiazol-4-yl]propanoate
CID 138673546
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
CID 133365985
ethyl 2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 97170705
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
methyl 2-[2-[5-(diethylamino)pentan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574015
6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 82442523
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
The IUPAC name of methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate (CID 112752454) is methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate is CCC(C)Nc1nc(C(CC)(CC)C(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
The InChIKey is KSQDXUSAJLREKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-10(4)15-13-16-11(9-19-13)14(7-2,8-3)12(17)18-5/h9-10H,6-8H2,1-5H3,(H,15,16).
What are the key properties of methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate?
methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate has a molecular weight of 284.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-ethylbutanoate is sourced from PubChem (CID 112752454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).