[2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone

C12H11N3O3S — CID 174379386

IUPAC[2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
SMILESCCNc1ncc(C(=O)c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H11N3O3S/c1-2-13-12-14-7-10(19-12)11(16)8-5-3-4-6-9(8)15(17)18/h3-7H,2H2,1H3,(H,13,14)
InChIKeyHGFDMSNHVHHRDH-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.71
Rot. Bonds5

About [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone

[2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone (PubChem CID 174379386) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
PubChem CID174379386
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name[2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
SMILESCCNc1ncc(C(=O)c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C12H11N3O3S/c1-2-13-12-14-7-10(19-12)11(16)8-5-3-4-6-9(8)15(17)18/h3-7H,2H2,1H3,(H,13,14)
InChIKeyHGFDMSNHVHHRDH-UHFFFAOYSA-N
XLogP2.71
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 47028167
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
2-(methylamino)-1-(2-nitrophenyl)ethanone
CID 23083587
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 23442752
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
N-(5-nitro-1,3-thiazol-2-yl)-2-propylsulfanylbenzamide
CID 17310438
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
[2-(ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone?
The IUPAC name of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone (CID 174379386) is [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone.
What is the SMILES notation for [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone?
The canonical SMILES for [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone is CCNc1ncc(C(=O)c2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone?
The InChIKey is HGFDMSNHVHHRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-2-13-12-14-7-10(19-12)11(16)8-5-3-4-6-9(8)15(17)18/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone?
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone has a molecular weight of 277.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone is sourced from PubChem (CID 174379386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).