2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide

C17H19N3O2S — CID 9174025

IUPAC2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(CC(N)=O)nc1-c1cc(C)n(Cc2ccco2)c1C
InChIInChI=1S/C17H19N3O2S/c1-10-7-14(11(2)20(10)9-13-5-4-6-22-13)17-12(3)23-16(19-17)8-15(18)21/h4-7H,8-9H2,1-3H3,(H2,18,21)
InChIKeyQPBUYNWOWUJINU-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.21
Rot. Bonds5

About 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide

2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 9174025) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID9174025
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(CC(N)=O)nc1-c1cc(C)n(Cc2ccco2)c1C
InChIInChI=1S/C17H19N3O2S/c1-10-7-14(11(2)20(10)9-13-5-4-6-22-13)17-12(3)23-16(19-17)8-15(18)21/h4-7H,8-9H2,1-3H3,(H2,18,21)
InChIKeyQPBUYNWOWUJINU-UHFFFAOYSA-N
XLogP3.21
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174035
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 17434799
2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 932496
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 7602094
[(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732292
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8831887
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 112776113
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 4038795
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide (CID 9174025) is 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(CC(N)=O)nc1-c1cc(C)n(Cc2ccco2)c1C.
What is the InChIKey of 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is QPBUYNWOWUJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10-7-14(11(2)20(10)9-13-5-4-6-22-13)17-12(3)23-16(19-17)8-15(18)21/h4-7H,8-9H2,1-3H3,(H2,18,21).
What are the key properties of 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide?
2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9174025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).