2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene

C11H10ClN3O3S — CID 174506576

IUPAC2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene
SMILESO=C(CCl)Nc1nccs1.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C5H5ClN2OS/c8-7(9)6-4-2-1-3-5-6;6-3-4(9)8-5-7-1-2-10-5/h1-5H;1-2H,3H2,(H,7,8,9)
InChIKeyBDDDJQRGCZNERP-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene

2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene (PubChem CID 174506576) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene.

Molecular Properties

Compound Name2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene
PubChem CID174506576
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene
SMILESO=C(CCl)Nc1nccs1.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C5H5ClN2OS/c8-7(9)6-4-2-1-3-5-6;6-3-4(9)8-5-7-1-2-10-5/h1-5H;1-2H,3H2,(H,7,8,9)
InChIKeyBDDDJQRGCZNERP-UHFFFAOYSA-N
XLogP2.92
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
(E)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 17187147
4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361484
1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698027
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene?
The IUPAC name of 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene (CID 174506576) is 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene.
What is the SMILES notation for 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene?
The canonical SMILES for 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene is O=C(CCl)Nc1nccs1.O=[N+]([O-])c1ccccc1.
What is the InChIKey of 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene?
The InChIKey is BDDDJQRGCZNERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C5H5ClN2OS/c8-7(9)6-4-2-1-3-5-6;6-3-4(9)8-5-7-1-2-10-5/h1-5H;1-2H,3H2,(H,7,8,9).
What are the key properties of 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene?
2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene has a molecular weight of 299.74 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene is sourced from PubChem (CID 174506576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).