2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C21H18N2O2S2 — CID 24664742

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2csc(-c3ccco3)n2)c2cccs2)cc1
InChIInChI=1S/C21H18N2O2S2/c1-14-6-8-15(9-7-14)20(18-5-3-11-26-18)23-19(24)12-16-13-27-21(22-16)17-4-2-10-25-17/h2-11,13,20H,12H2,1H3,(H,23,24)
InChIKeyQBKFVSCFKJYIKE-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.22
Rot. Bonds6

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 24664742) has the molecular formula C21H18N2O2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID24664742
Molecular FormulaC21H18N2O2S2
Molecular Weight394.52 g/mol
Exact Mass394.08
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2csc(-c3ccco3)n2)c2cccs2)cc1
InChIInChI=1S/C21H18N2O2S2/c1-14-6-8-15(9-7-14)20(18-5-3-11-26-18)23-19(24)12-16-13-27-21(22-16)17-4-2-10-25-17/h2-11,13,20H,12H2,1H3,(H,23,24)
InChIKeyQBKFVSCFKJYIKE-UHFFFAOYSA-N
XLogP5.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide 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

(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 30749222
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256411
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 39223987
N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 124606726
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46436542
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43546783
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 24664742) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is Cc1ccc(C(NC(=O)Cc2csc(-c3ccco3)n2)c2cccs2)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is QBKFVSCFKJYIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S2/c1-14-6-8-15(9-7-14)20(18-5-3-11-26-18)23-19(24)12-16-13-27-21(22-16)17-4-2-10-25-17/h2-11,13,20H,12H2,1H3,(H,23,24).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 24664742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).