2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide

C16H22N2O4S2 — CID 86926139

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)Cc1csc(-c2ccco2)n1)C(C)C
InChIInChI=1S/C16H22N2O4S2/c1-11(2)18(12(3)4)15(19)10-24(20,21)9-13-8-23-16(17-13)14-6-5-7-22-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyYKQXEDQIVPVKNN-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.96
Rot. Bonds7

About 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 86926139) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
PubChem CID86926139
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)Cc1csc(-c2ccco2)n1)C(C)C
InChIInChI=1S/C16H22N2O4S2/c1-11(2)18(12(3)4)15(19)10-24(20,21)9-13-8-23-16(17-13)14-6-5-7-22-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyYKQXEDQIVPVKNN-UHFFFAOYSA-N
XLogP2.96
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)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

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
2-(furan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
CID 86921500
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
N-cyclopropyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 43577125
2-(furan-2-yl)-4-[(1-methylimidazol-2-yl)sulfonylmethyl]-1,3-thiazole
CID 87010407
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide (CID 86926139) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CS(=O)(=O)Cc1csc(-c2ccco2)n1)C(C)C.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is YKQXEDQIVPVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-11(2)18(12(3)4)15(19)10-24(20,21)9-13-8-23-16(17-13)14-6-5-7-22-14/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 86926139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).