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

C19H17N3O3S — CID 9233028

IUPACN-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O3S/c1-13-7-8-15(9-17(13)22(24)25)16-12-26-19(21-16)10-18(23)20-11-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,23)
InChIKeyVCEQJWIYXYSLPW-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.89
Rot. Bonds6

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

N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9233028) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID9233028
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O3S/c1-13-7-8-15(9-17(13)22(24)25)16-12-26-19(21-16)10-18(23)20-11-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,23)
InChIKeyVCEQJWIYXYSLPW-UHFFFAOYSA-N
XLogP3.89
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethyl)-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 33400595
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
4-(4-methyl-3-nitrophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19096613
3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62667234
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
3-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 134041769
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757
4-(benzenesulfonylmethyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55759385
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 9233028) is N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VCEQJWIYXYSLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13-7-8-15(9-17(13)22(24)25)16-12-26-19(21-16)10-18(23)20-11-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,20,23).
What are the key properties of N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9233028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).