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

C14H15N3O3S — CID 106936633

IUPACethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CC)c2ccncc2)cs1
InChIInChI=1S/C14H15N3O3S/c1-3-17(10-5-7-15-8-6-10)13(18)11-9-21-12(16-11)14(19)20-4-2/h5-9H,3-4H2,1-2H3
InChIKeyYLOISDBSMLLVPS-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.38
Rot. Bonds5

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

ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 106936633) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID106936633
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CC)c2ccncc2)cs1
InChIInChI=1S/C14H15N3O3S/c1-3-17(10-5-7-15-8-6-10)13(18)11-9-21-12(16-11)14(19)20-4-2/h5-9H,3-4H2,1-2H3
InChIKeyYLOISDBSMLLVPS-UHFFFAOYSA-N
XLogP2.38
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698032
ethyl 4-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698241
ethyl 4-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 107737504
ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697864
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697900
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
N-ethyl-4-(methylamino)-N-pyridin-4-ylpyridine-2-carboxamide
CID 106937446
ethyl 4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697872
2-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66389737
ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698056

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 106936633) is ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N(CC)c2ccncc2)cs1.
What is the InChIKey of ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is YLOISDBSMLLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-17(10-5-7-15-8-6-10)13(18)11-9-21-12(16-11)14(19)20-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 106936633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).