methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C14H16N4O2S — CID 115384515

IUPACmethyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCn1nc(C)c(-c2cn3cc(C(=O)OC)sc3n2)c1C
InChIInChI=1S/C14H16N4O2S/c1-5-18-9(3)12(8(2)16-18)10-6-17-7-11(13(19)20-4)21-14(17)15-10/h6-7H,5H2,1-4H3
InChIKeyUELPSRYTHOIGON-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.68
Rot. Bonds3

About methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 115384515) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID115384515
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Namemethyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCn1nc(C)c(-c2cn3cc(C(=O)OC)sc3n2)c1C
InChIInChI=1S/C14H16N4O2S/c1-5-18-9(3)12(8(2)16-18)10-6-17-7-11(13(19)20-4)21-14(17)15-10/h6-7H,5H2,1-4H3
InChIKeyUELPSRYTHOIGON-UHFFFAOYSA-N
XLogP2.68
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 115384515) is methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCn1nc(C)c(-c2cn3cc(C(=O)OC)sc3n2)c1C.
What is the InChIKey of methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is UELPSRYTHOIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-5-18-9(3)12(8(2)16-18)10-6-17-7-11(13(19)20-4)21-14(17)15-10/h6-7H,5H2,1-4H3.
What are the key properties of methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 304.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 115384515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).