ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate

C16H20N2O2S — CID 79371231

IUPACethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(CC)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-4-13(12-9-7-6-8-10-12)17-15-14(11(3)18-21-15)16(19)20-5-2/h6-10,13,17H,4-5H2,1-3H3
InChIKeyWYCUBRWZIJKUGE-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.19
Rot. Bonds6

About ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate (PubChem CID 79371231) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
PubChem CID79371231
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Nameethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(CC)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-4-13(12-9-7-6-8-10-12)17-15-14(11(3)18-21-15)16(19)20-5-2/h6-10,13,17H,4-5H2,1-3H3
InChIKeyWYCUBRWZIJKUGE-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylic acid
CID 79402765
ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
CID 2820507
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371639
ethyl 3-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 79364107
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371456
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(3-fluoro-2-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364095
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate (CID 79371231) is ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(CC)c1ccccc1.
What is the InChIKey of ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is WYCUBRWZIJKUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13(12-9-7-6-8-10-12)17-15-14(11(3)18-21-15)16(19)20-5-2/h6-10,13,17H,4-5H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 304.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79371231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).