ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate

C11H14N4O2S — CID 65232051

IUPACethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCCc1cnc[nH]1
InChIInChI=1S/C11H14N4O2S/c1-2-17-11(16)9-10(18-7-15-9)13-4-3-8-5-12-6-14-8/h5-7,13H,2-4H2,1H3,(H,12,14)
InChIKeyMPIRQQOLVVSORT-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.70
Rot. Bonds6

About ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate

ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 65232051) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID65232051
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCCc1cnc[nH]1
InChIInChI=1S/C11H14N4O2S/c1-2-17-11(16)9-10(18-7-15-9)13-4-3-8-5-12-6-14-8/h5-7,13H,2-4H2,1H3,(H,12,14)
InChIKeyMPIRQQOLVVSORT-UHFFFAOYSA-N
XLogP1.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103465035
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ethyl 5-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106015850
ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
CID 106279442
ethyl 5-(2-prop-2-ynylsulfanylethylamino)-1,3-thiazole-4-carboxylate
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ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
CID 65231536
ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 114516767
ethyl 5-(3,3-dimethylbutan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113458065
ethyl 4-(1H-imidazol-5-yl)-2-oxobutanoate
CID 70557338
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 103403443
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 65232051) is ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NCCc1cnc[nH]1.
What is the InChIKey of ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is MPIRQQOLVVSORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-17-11(16)9-10(18-7-15-9)13-4-3-8-5-12-6-14-8/h5-7,13H,2-4H2,1H3,(H,12,14).
What are the key properties of ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 65232051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).