N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide

C18H15N3O3S — CID 54773784

IUPACN-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-18(14-4-2-1-3-5-14)19-11-10-17-20-16(12-25-17)13-6-8-15(9-7-13)21(23)24/h1-9,12H,10-11H2,(H,19,22)
InChIKeyIGMFMOYMQDGODB-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.69
Rot. Bonds6

About N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide

N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 54773784) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID54773784
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1
InChIInChI=1S/C18H15N3O3S/c22-18(14-4-2-1-3-5-14)19-11-10-17-20-16(12-25-17)13-6-8-15(9-7-13)21(23)24/h1-9,12H,10-11H2,(H,19,22)
InChIKeyIGMFMOYMQDGODB-UHFFFAOYSA-N
XLogP3.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.69
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

4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 718622
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 737179
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
CID 785022
4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
CID 2501115
2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
CID 16194573
4-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344738
3-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 84239271
3-cyano-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 84507992
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 723245

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 54773784) is N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is IGMFMOYMQDGODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-18(14-4-2-1-3-5-14)19-11-10-17-20-16(12-25-17)13-6-8-15(9-7-13)21(23)24/h1-9,12H,10-11H2,(H,19,22).
What are the key properties of N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 54773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).