ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate

C14H18N4O2S — CID 59179681

IUPACethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cn(CCC3CC3)nn2)nc1C
InChIInChI=1S/C14H18N4O2S/c1-3-20-14(19)12-9(2)15-13(21-12)11-8-18(17-16-11)7-6-10-4-5-10/h8,10H,3-7H2,1-2H3
InChIKeyOAZWVEHDGYIGEI-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 59179681) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID59179681
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Nameethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cn(CCC3CC3)nn2)nc1C
InChIInChI=1S/C14H18N4O2S/c1-3-20-14(19)12-9(2)15-13(21-12)11-8-18(17-16-11)7-6-10-4-5-10/h8,10H,3-7H2,1-2H3
InChIKeyOAZWVEHDGYIGEI-UHFFFAOYSA-N
XLogP2.69
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 59179681) is ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cn(CCC3CC3)nn2)nc1C.
What is the InChIKey of ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is OAZWVEHDGYIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-20-14(19)12-9(2)15-13(21-12)11-8-18(17-16-11)7-6-10-4-5-10/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-cyclopropylethyl)triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59179681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).