[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C18H18N2O2S2 — CID 51949221

IUPAC[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccsc3)s2)o1
InChIInChI=1S/C18H18N2O2S2/c1-11-5-6-15(22-11)17-19-12(2)16(24-17)18(21)20-8-3-4-14(20)13-7-9-23-10-13/h5-7,9-10,14H,3-4,8H2,1-2H3/t14-/m1/s1
InChIKeyWKIBLWCFUBSTBS-CQSZACIVSA-N
MW358.49 g/mol
LogP5.06
Rot. Bonds3

About [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51949221) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51949221
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccsc3)s2)o1
InChIInChI=1S/C18H18N2O2S2/c1-11-5-6-15(22-11)17-19-12(2)16(24-17)18(21)20-8-3-4-14(20)13-7-9-23-10-13/h5-7,9-10,14H,3-4,8H2,1-2H3/t14-/m1/s1
InChIKeyWKIBLWCFUBSTBS-CQSZACIVSA-N
XLogP5.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 46421205
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 97071448
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 47036034
[2-(1-aminoethyl)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436791
(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99633825
[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 36671251
(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119375760
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one
CID 138997530
N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
CID 94796886
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 43018862

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51949221) is [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccsc3)s2)o1.
What is the InChIKey of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is WKIBLWCFUBSTBS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-11-5-6-15(22-11)17-19-12(2)16(24-17)18(21)20-8-3-4-14(20)13-7-9-23-10-13/h5-7,9-10,14H,3-4,8H2,1-2H3/t14-/m1/s1.
What are the key properties of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51949221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).