ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate

C14H20N2O3S — CID 107400437

IUPACethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CC)CC2CCC2)cs1
InChIInChI=1S/C14H20N2O3S/c1-3-16(8-10-6-5-7-10)13(17)11-9-20-12(15-11)14(18)19-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDQWLBYPTSFIJAA-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.58
Rot. Bonds6

About ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 107400437) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID107400437
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CC)CC2CCC2)cs1
InChIInChI=1S/C14H20N2O3S/c1-3-16(8-10-6-5-7-10)13(17)11-9-20-12(15-11)14(18)19-4-2/h9-10H,3-8H2,1-2H3
InChIKeyDQWLBYPTSFIJAA-UHFFFAOYSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51087087
N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
CID 46944152
Ethyl 1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidine-2-carboxylate
CID 50970699
(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 71871966
[(6S)-6-cyclobutyl-1,4-oxazepan-4-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 164629011
(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone
CID 164638418
Ethyl 4-(4-fluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121303323
Ethyl 4-(4,4-difluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121304037
(S)-Ethyl 4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)thiazole-2-carboxylate
CID 121307731
Ethyl 4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 132077560
ethyl 4-[(2S)-4,4-difluoro-2-methoxypyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 142798779
(3-Morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 45173605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 107400437) is ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N(CC)CC2CCC2)cs1.
What is the InChIKey of ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is DQWLBYPTSFIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-16(8-10-6-5-7-10)13(17)11-9-20-12(15-11)14(18)19-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 107400437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).