ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate

C12H15N3O2S — CID 114203687

IUPACethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2nc(C(C)C)cs2)cn1
InChIInChI=1S/C12H15N3O2S/c1-4-17-11(16)9-5-15(7-13-9)12-14-10(6-18-12)8(2)3/h5-8H,4H2,1-3H3
InChIKeyQLZPPAXOTDPGQE-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.63
Rot. Bonds4

About ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate

ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate (PubChem CID 114203687) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate
PubChem CID114203687
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Nameethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2nc(C(C)C)cs2)cn1
InChIInChI=1S/C12H15N3O2S/c1-4-17-11(16)9-5-15(7-13-9)12-14-10(6-18-12)8(2)3/h5-8H,4H2,1-3H3
InChIKeyQLZPPAXOTDPGQE-UHFFFAOYSA-N
XLogP2.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;ethyl 4-propan-2-yl-1,3-thiazole-2-carboxylate
CID 143401318
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 114203723
ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
CID 166520574
ethyl 4-(dihydroxymethyl)-1,3-thiazole-2-carboxylate
CID 126661518
ethyl 1-[(2R)-1-fluoropropan-2-yl]imidazole-4-carboxylate
CID 155578659
ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
CID 88893252
CID 88893252
ethyl 1-(3,5-dichloro-2-pyridinyl)imidazole-4-carboxylate
CID 15069644
ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
CID 114203724

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate (CID 114203687) is ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2nc(C(C)C)cs2)cn1.
What is the InChIKey of ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The InChIKey is QLZPPAXOTDPGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-17-11(16)9-5-15(7-13-9)12-14-10(6-18-12)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate is sourced from PubChem (CID 114203687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).