2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide

C10H6ClN3O3S — CID 672387

IUPAC2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H6ClN3O3S/c11-8-5-6(14(16)17)1-2-7(8)9(15)13-10-12-3-4-18-10/h1-5H,(H,12,13,15)
InChIKeySSOBTHGPSUDJKP-UHFFFAOYSA-N
MW283.70 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide

2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 672387) has the molecular formula C10H6ClN3O3S and a molecular weight of 283.70 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID672387
Molecular FormulaC10H6ClN3O3S
Molecular Weight283.70 g/mol
Exact Mass282.98
IUPAC Name2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H6ClN3O3S/c11-8-5-6(14(16)17)1-2-7(8)9(15)13-10-12-3-4-18-10/h1-5H,(H,12,13,15)
InChIKeySSOBTHGPSUDJKP-UHFFFAOYSA-N
XLogP2.96
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 52.96
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-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
4-Nitro-N-(2-thiazolyl)benzamide
CID 230363
4-chloro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 749218
2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2726122
2-nitro-N-1,3-thiazol-2-ylbenzamide
CID 670500
4-chloro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 717964
3-chloro-4-(3,3-dimethylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 11163971
2-Chloro-4-(3,3-dimethyl-butyrylamino)-N-thiazol-2-yl-benzamide
CID 51050124
7N-060
CID 321574
3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 738526
3-Chloro-4-nitro-N-(5-nitro-2-thiazolyl)-benzamide
CID 11537217
N-[5-(2,5-Dichloro-benzyl)-thiazol-2-yl]-4-nitro-benzamide
CID 1113554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 672387) is 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SSOBTHGPSUDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3S/c11-8-5-6(14(16)17)1-2-7(8)9(15)13-10-12-3-4-18-10/h1-5H,(H,12,13,15).
What are the key properties of 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide?
2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 283.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 672387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).