[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C16H11ClN4O3S — CID 75438418

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCc1cn2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)sc2n1
InChIInChI=1S/C16H11ClN4O3S/c1-9-6-21-7-12(25-16(21)18-9)15(22)23-8-13-19-20-14(24-13)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyCJKIXWOUNYBOGL-UHFFFAOYSA-N
MW374.81 g/mol
LogP3.76
Rot. Bonds4

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 75438418) has the molecular formula C16H11ClN4O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID75438418
Molecular FormulaC16H11ClN4O3S
Molecular Weight374.81 g/mol
Exact Mass374.02
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCc1cn2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)sc2n1
InChIInChI=1S/C16H11ClN4O3S/c1-9-6-21-7-12(25-16(21)18-9)15(22)23-8-13-19-20-14(24-13)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyCJKIXWOUNYBOGL-UHFFFAOYSA-N
XLogP3.76
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
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[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylbenzoate
CID 7968212
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 46819438
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylbenzoate
CID 8891104
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951211
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7194175
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55480931
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 75438418) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is Cc1cn2cc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)sc2n1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is CJKIXWOUNYBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3S/c1-9-6-21-7-12(25-16(21)18-9)15(22)23-8-13-19-20-14(24-13)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 374.81 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 75438418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).