[(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate

C17H19NO3S — CID 95611425

IUPAC[(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(-c2nc(CC(=O)OC[C@H]3CC=CCC3)cs2)o1
InChIInChI=1S/C17H19NO3S/c1-12-7-8-15(21-12)17-18-14(11-22-17)9-16(19)20-10-13-5-3-2-4-6-13/h2-3,7-8,11,13H,4-6,9-10H2,1H3/t13-/m0/s1
InChIKeyBXVMKOVAZKUQFE-ZDUSSCGKSA-N
MW317.41 g/mol
LogP4.15
Rot. Bonds5

About [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate

[(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 95611425) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate
PubChem CID95611425
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name[(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(-c2nc(CC(=O)OC[C@H]3CC=CCC3)cs2)o1
InChIInChI=1S/C17H19NO3S/c1-12-7-8-15(21-12)17-18-14(11-22-17)9-16(19)20-10-13-5-3-2-4-6-13/h2-3,7-8,11,13H,4-6,9-10H2,1H3/t13-/m0/s1
InChIKeyBXVMKOVAZKUQFE-ZDUSSCGKSA-N
XLogP4.15
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
1-[4-(methylaminomethyl)piperidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119545183
1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 56811934
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
cyclohex-3-en-1-ylmethyl 2-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 134019054
3-cyclohexyl-N'-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]propanehydrazide
CID 91642151
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 119650689
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39129843
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate (CID 95611425) is [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate is Cc1ccc(-c2nc(CC(=O)OC[C@H]3CC=CCC3)cs2)o1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is BXVMKOVAZKUQFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-7-8-15(21-12)17-18-14(11-22-17)9-16(19)20-10-13-5-3-2-4-6-13/h2-3,7-8,11,13H,4-6,9-10H2,1H3/t13-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate?
[(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 317.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]methyl 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 95611425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).