3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C13H11N3O3S — CID 168863211

IUPAC3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(C2CC2)c1
InChIInChI=1S/C13H11N3O3S/c17-12(15-13-14-7-11(20-13)16(18)19)10-3-1-2-9(6-10)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15,17)
InChIKeyIAMANPDWXGBFNY-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.18
Rot. Bonds4

About 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide

3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 168863211) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID168863211
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(C2CC2)c1
InChIInChI=1S/C13H11N3O3S/c17-12(15-13-14-7-11(20-13)16(18)19)10-3-1-2-9(6-10)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15,17)
InChIKeyIAMANPDWXGBFNY-UHFFFAOYSA-N
XLogP3.18
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.18
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-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N-[(5-nitro-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 126601215
methyl N-[1-methyl-6-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzimidazol-2-yl]carbamate
CID 72725188
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2948518
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547
N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 46916963

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 168863211) is 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is IAMANPDWXGBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-12(15-13-14-7-11(20-13)16(18)19)10-3-1-2-9(6-10)8-4-5-8/h1-3,6-8H,4-5H2,(H,14,15,17).
What are the key properties of 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 289.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 168863211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).