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

C17H15N3O4S — CID 33400595

IUPACN-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4S/c1-11-4-5-12(7-15(11)20(22)23)14-10-25-17(19-14)8-16(21)18-9-13-3-2-6-24-13/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyNKZIGIKAZLUTDK-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.48
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 33400595) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID33400595
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H15N3O4S/c1-11-4-5-12(7-15(11)20(22)23)14-10-25-17(19-14)8-16(21)18-9-13-3-2-6-24-13/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyNKZIGIKAZLUTDK-UHFFFAOYSA-N
XLogP3.48
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 9233028
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 33405195
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 33405157
N-(furan-2-ylmethyl)-2-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 33401026
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 34736405
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62667234
4-(4-methyl-3-nitrophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19096613
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55870173
N-(furan-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222583

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 33400595) is N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NKZIGIKAZLUTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11-4-5-12(7-15(11)20(22)23)14-10-25-17(19-14)8-16(21)18-9-13-3-2-6-24-13/h2-7,10H,8-9H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 33400595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).