methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate

C14H20N2O3S — CID 119048225

IUPACmethyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate
SMILESCCc1ncc(C(=O)N(C2CCC2)C(C)C(=O)OC)s1
InChIInChI=1S/C14H20N2O3S/c1-4-12-15-8-11(20-12)13(17)16(10-6-5-7-10)9(2)14(18)19-3/h8-10H,4-7H2,1-3H3
InChIKeyJPBUHHSBYJFQPU-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.26
Rot. Bonds5

About methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate

methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate (PubChem CID 119048225) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate
PubChem CID119048225
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate
SMILESCCc1ncc(C(=O)N(C2CCC2)C(C)C(=O)OC)s1
InChIInChI=1S/C14H20N2O3S/c1-4-12-15-8-11(20-12)13(17)16(10-6-5-7-10)9(2)14(18)19-3/h8-10H,4-7H2,1-3H3
InChIKeyJPBUHHSBYJFQPU-UHFFFAOYSA-N
XLogP2.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[cyclobutyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 99830564
methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
CID 99795385
methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate
CID 99830626
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
methyl 2-[cyclobutyl-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]propanoate
CID 86819609
2-[(2-ethyl-1,3-thiazole-5-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 126795251
methyl (2S)-2-[cyclohexyl-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoate
CID 54528577
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171593900
methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 86847514
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate
CID 166205810

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate (CID 119048225) is methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate is CCc1ncc(C(=O)N(C2CCC2)C(C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate?
The InChIKey is JPBUHHSBYJFQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-12-15-8-11(20-12)13(17)16(10-6-5-7-10)9(2)14(18)19-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate?
methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate has a molecular weight of 296.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 119048225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).