N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride

C11H12ClN3O3S — CID 24747061

IUPACN-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride
SMILESCC1CN=C(NC(=O)c2cccc([N+](=O)[O-])c2)S1.Cl
InChIInChI=1S/C11H11N3O3S.ClH/c1-7-6-12-11(18-7)13-10(15)8-3-2-4-9(5-8)14(16)17;/h2-5,7H,6H2,1H3,(H,12,13,15);1H
InChIKeySYXCVGGTVAIMSG-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.24
Rot. Bonds2

About N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride

N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride (PubChem CID 24747061) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride
PubChem CID24747061
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC NameN-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride
SMILESCC1CN=C(NC(=O)c2cccc([N+](=O)[O-])c2)S1.Cl
InChIInChI=1S/C11H11N3O3S.ClH/c1-7-6-12-11(18-7)13-10(15)8-3-2-4-9(5-8)14(16)17;/h2-5,7H,6H2,1H3,(H,12,13,15);1H
InChIKeySYXCVGGTVAIMSG-UHFFFAOYSA-N
XLogP2.24
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.24
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

3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 3771432
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3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-(3-methylthiophen-2-yl)-3-nitrobenzamide
CID 19689915
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride?
The IUPAC name of N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride (CID 24747061) is N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride is CC1CN=C(NC(=O)c2cccc([N+](=O)[O-])c2)S1.Cl.
What is the InChIKey of N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride?
The InChIKey is SYXCVGGTVAIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S.ClH/c1-7-6-12-11(18-7)13-10(15)8-3-2-4-9(5-8)14(16)17;/h2-5,7H,6H2,1H3,(H,12,13,15);1H.
What are the key properties of N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride?
N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride has a molecular weight of 301.75 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 24747061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).