ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate

C14H19N3O2S2 — CID 79371456

IUPACethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H19N3O2S2/c1-6-19-14(18)11-7(2)17-21-13(11)16-9(4)12-8(3)15-10(5)20-12/h9,16H,6H2,1-5H3
InChIKeyXXNJOVIUYVUIPO-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.87
Rot. Bonds5

About ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79371456) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79371456
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Nameethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C14H19N3O2S2/c1-6-19-14(18)11-7(2)17-21-13(11)16-9(4)12-8(3)15-10(5)20-12/h9,16H,6H2,1-5H3
InChIKeyXXNJOVIUYVUIPO-UHFFFAOYSA-N
XLogP3.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 79364107
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79364101
ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
CID 61064211
ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371231
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79376002
ethyl 3-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 79363815
methyl (2S)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutanoate
CID 63752427
ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375806
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate (CID 79371456) is ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(C)c1sc(C)nc1C.
What is the InChIKey of ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is XXNJOVIUYVUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-6-19-14(18)11-7(2)17-21-13(11)16-9(4)12-8(3)15-10(5)20-12/h9,16H,6H2,1-5H3.
What are the key properties of ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 325.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79371456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).