ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate

C15H24N2O3S — CID 56793531

IUPACethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCC(C)N(C(=O)CC)c1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C15H24N2O3S/c1-6-9-10(4)17(12(18)7-2)15-16-11(5)13(21-15)14(19)20-8-3/h10H,6-9H2,1-5H3
InChIKeyZKWOLZNCYVIMDD-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.56
Rot. Bonds7

About ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 56793531) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID56793531
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nameethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCC(C)N(C(=O)CC)c1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C15H24N2O3S/c1-6-9-10(4)17(12(18)7-2)15-16-11(5)13(21-15)14(19)20-8-3/h10H,6-9H2,1-5H3
InChIKeyZKWOLZNCYVIMDD-UHFFFAOYSA-N
XLogP3.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80569705
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 2-[butan-2-yl-[(E)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17026612
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate
CID 51852810
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(dimethylaminomethylideneamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2893977

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate (CID 56793531) is ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate is CCCC(C)N(C(=O)CC)c1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZKWOLZNCYVIMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-9-10(4)17(12(18)7-2)15-16-11(5)13(21-15)14(19)20-8-3/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[pentan-2-yl(propanoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 56793531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).