5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide

C19H19N3O4S — CID 59362159

IUPAC5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)o2)s1
InChIInChI=1S/C19H19N3O4S/c1-11-17(27-19(20-11)21-12(2)24)15-8-9-16(26-15)18(25)22-14(10-23)13-6-4-3-5-7-13/h3-9,14,23H,10H2,1-2H3,(H,22,25)(H,20,21,24)/t14-/m0/s1
InChIKeyLARKSRZHBACAON-AWEZNQCLSA-N
MW385.45 g/mol
LogP3.13
Rot. Bonds6

About 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide

5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide (PubChem CID 59362159) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide
PubChem CID59362159
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)o2)s1
InChIInChI=1S/C19H19N3O4S/c1-11-17(27-19(20-11)21-12(2)24)15-8-9-16(26-15)18(25)22-14(10-23)13-6-4-3-5-7-13/h3-9,14,23H,10H2,1-2H3,(H,22,25)(H,20,21,24)/t14-/m0/s1
InChIKeyLARKSRZHBACAON-AWEZNQCLSA-N
XLogP3.13
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)furan-2-carboxylic acid;N-[5-(5-formylfuran-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 158490935
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
N-[5-[5-[[cyano(phenyl)methyl]sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362186
N-[5-[5-[benzyl(methyl)sulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 158251335
N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 143638089
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide (CID 59362159) is 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide is CC(=O)Nc1nc(C)c(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)o2)s1.
What is the InChIKey of 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide?
The InChIKey is LARKSRZHBACAON-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11-17(27-19(20-11)21-12(2)24)15-8-9-16(26-15)18(25)22-14(10-23)13-6-4-3-5-7-13/h3-9,14,23H,10H2,1-2H3,(H,22,25)(H,20,21,24)/t14-/m0/s1.
What are the key properties of 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide?
5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 59362159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).