N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide

C10H8Cl3N3O2S — CID 3509432

IUPACN-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(NC(Nc1nccs1)C(Cl)(Cl)Cl)c1ccco1
InChIInChI=1S/C10H8Cl3N3O2S/c11-10(12,13)8(16-9-14-3-5-19-9)15-7(17)6-2-1-4-18-6/h1-5,8H,(H,14,16)(H,15,17)
InChIKeyWOSDTBUTDFSIME-UHFFFAOYSA-N
MW340.62 g/mol
LogP3.27
Rot. Bonds4

About N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide

N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide (PubChem CID 3509432) has the molecular formula C10H8Cl3N3O2S and a molecular weight of 340.62 g/mol. Its IUPAC name is N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
PubChem CID3509432
Molecular FormulaC10H8Cl3N3O2S
Molecular Weight340.62 g/mol
Exact Mass338.94
IUPAC NameN-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(NC(Nc1nccs1)C(Cl)(Cl)Cl)c1ccco1
InChIInChI=1S/C10H8Cl3N3O2S/c11-10(12,13)8(16-9-14-3-5-19-9)15-7(17)6-2-1-4-18-6/h1-5,8H,(H,14,16)(H,15,17)
InChIKeyWOSDTBUTDFSIME-UHFFFAOYSA-N
XLogP3.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.62
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide
CID 723261
N-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]furan-2-carboxamide
CID 2887246
N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]furan-2-carboxamide
CID 3104209
N-[(1S)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]furan-2-carboxamide
CID 31725764
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912
N-[(1S)-2,2,2-trichloro-1-[(2-iodophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1380677
N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
CID 3090290
N-[(1R)-2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1119006
N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1106755
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
CID 23745766
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 2829926

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide (CID 3509432) is N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide is O=C(NC(Nc1nccs1)C(Cl)(Cl)Cl)c1ccco1.
What is the InChIKey of N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is WOSDTBUTDFSIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O2S/c11-10(12,13)8(16-9-14-3-5-19-9)15-7(17)6-2-1-4-18-6/h1-5,8H,(H,14,16)(H,15,17).
What are the key properties of N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide?
N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 340.62 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 3509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).