N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide

C17H14N4O3S — CID 28865390

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide
SMILESNc1nc(-c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C17H14N4O3S/c18-17-20-14(10-25-17)12-6-2-3-7-13(12)19-16(22)9-11-5-1-4-8-15(11)21(23)24/h1-8,10H,9H2,(H2,18,20)(H,19,22)
InChIKeyWPNQWBYGYARWPE-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.48
Rot. Bonds5

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

N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 28865390) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide
PubChem CID28865390
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide
SMILESNc1nc(-c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C17H14N4O3S/c18-17-20-14(10-25-17)12-6-2-3-7-13(12)19-16(22)9-11-5-1-4-8-15(11)21(23)24/h1-8,10H,9H2,(H2,18,20)(H,19,22)
InChIKeyWPNQWBYGYARWPE-UHFFFAOYSA-N
XLogP3.48
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
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

2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90626132
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 28865232
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 10450021
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide (CID 28865390) is N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide is Nc1nc(-c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is WPNQWBYGYARWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c18-17-20-14(10-25-17)12-6-2-3-7-13(12)19-16(22)9-11-5-1-4-8-15(11)21(23)24/h1-8,10H,9H2,(H2,18,20)(H,19,22).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 28865390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).