2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide

C23H20N4O3S — CID 55607967

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)cs2)o1
InChIInChI=1S/C23H20N4O3S/c1-15-10-11-20(30-15)22-25-19(14-31-22)13-21(28)24-17-8-5-9-18(12-17)27-23(29)26-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,24,28)(H2,26,27,29)
InChIKeyLRHIZTNHDHDGRU-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.54
Rot. Bonds6

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 55607967) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID55607967
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)cs2)o1
InChIInChI=1S/C23H20N4O3S/c1-15-10-11-20(30-15)22-25-19(14-31-22)13-21(28)24-17-8-5-9-18(12-17)27-23(29)26-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,24,28)(H2,26,27,29)
InChIKeyLRHIZTNHDHDGRU-UHFFFAOYSA-N
XLogP5.54
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46474409
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide
CID 46456770
S-[4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529514
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 33290955
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46494595
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 60549610
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 55889197
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 34447886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide (CID 55607967) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is LRHIZTNHDHDGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15-10-11-20(30-15)22-25-19(14-31-22)13-21(28)24-17-8-5-9-18(12-17)27-23(29)26-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,24,28)(H2,26,27,29).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 432.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 55607967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).