N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C12H11FN2O2S — CID 47078287

IUPACN-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCONC(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C12H11FN2O2S/c1-2-17-15-11(16)10-7-18-12(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyAVHOROZWAIDEKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.63
Rot. Bonds4

About N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 47078287) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID47078287
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCONC(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C12H11FN2O2S/c1-2-17-15-11(16)10-7-18-12(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,15,16)
InChIKeyAVHOROZWAIDEKB-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119524567
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-ethoxy-2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 4254835
N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131203421
N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119567922
(3S)-3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 71239923
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287
N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119617053
methyl 2-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbenzoate
CID 86847269
2-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 47078287) is N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is CCONC(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AVHOROZWAIDEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-2-17-15-11(16)10-7-18-12(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47078287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).