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

C11H8ClN3O3S — CID 49346153

IUPAC2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H8ClN3O3S/c12-10-3-8(15(17)18)1-2-9(10)11(16)13-4-7-5-19-6-14-7/h1-3,5-6H,4H2,(H,13,16)
InChIKeyRMMLTTIFKZBGIK-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.63
Rot. Bonds4

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

2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 49346153) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID49346153
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H8ClN3O3S/c12-10-3-8(15(17)18)1-2-9(10)11(16)13-4-7-5-19-6-14-7/h1-3,5-6H,4H2,(H,13,16)
InChIKeyRMMLTTIFKZBGIK-UHFFFAOYSA-N
XLogP2.63
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.63
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

5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 62186371
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-nitrobenzamide
CID 122354201
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-nitrobenzamide
CID 51316838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 49346153) is 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is RMMLTTIFKZBGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c12-10-3-8(15(17)18)1-2-9(10)11(16)13-4-7-5-19-6-14-7/h1-3,5-6H,4H2,(H,13,16).
What are the key properties of 2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 297.72 g/mol, XLogP of 2.63, 4 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-4-ylmethyl)benzamide is sourced from PubChem (CID 49346153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).