ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate

C16H19N3O3S — CID 145143240

IUPACethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(C)c2)sc1NC(=O)N(C)C
InChIInChI=1S/C16H19N3O3S/c1-5-22-15(20)12-14(18-16(21)19(3)4)23-13(17-12)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,18,21)
InChIKeyHMFINKRNNYZRRV-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.39
Rot. Bonds4

About ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate

ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 145143240) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID145143240
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Nameethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(C)c2)sc1NC(=O)N(C)C
InChIInChI=1S/C16H19N3O3S/c1-5-22-15(20)12-14(18-16(21)19(3)4)23-13(17-12)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,18,21)
InChIKeyHMFINKRNNYZRRV-UHFFFAOYSA-N
XLogP3.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
ethyl 2-(3-bromophenyl)-5-(cyclopropylamino)-1,3-thiazole-4-carboxylate
CID 122508677
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
ethyl 5-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1,3-thiazole-4-carboxylate
CID 122522158
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 116526130
ethyl 2-(3-ethynylphenyl)-5-[(1-methylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 145143329
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
methyl 4-chloro-2-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 79073840
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate (CID 145143240) is ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(C)c2)sc1NC(=O)N(C)C.
What is the InChIKey of ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is HMFINKRNNYZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-5-22-15(20)12-14(18-16(21)19(3)4)23-13(17-12)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,18,21).
What are the key properties of ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoylamino)-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 145143240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).