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

C10H12N4O3S — CID 106411471

IUPACethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCc2ncon2)sc1C
InChIInChI=1S/C10H12N4O3S/c1-3-16-9(15)8-6(2)18-10(13-8)11-4-7-12-5-17-14-7/h5H,3-4H2,1-2H3,(H,11,13)
InChIKeyIIOXKMGYWNDLRV-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.62
Rot. Bonds5

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

ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 106411471) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate
PubChem CID106411471
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Nameethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCc2ncon2)sc1C
InChIInChI=1S/C10H12N4O3S/c1-3-16-9(15)8-6(2)18-10(13-8)11-4-7-12-5-17-14-7/h5H,3-4H2,1-2H3,(H,11,13)
InChIKeyIIOXKMGYWNDLRV-UHFFFAOYSA-N
XLogP1.62
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526595
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-[(3,4-difluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526631
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 106411462
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526337
ethyl 5-acetyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106411446
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325
4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106412648
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate (CID 106411471) is ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCc2ncon2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is IIOXKMGYWNDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-3-16-9(15)8-6(2)18-10(13-8)11-4-7-12-5-17-14-7/h5H,3-4H2,1-2H3,(H,11,13).
What are the key properties of ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 268.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106411471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).