N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide

C18H14F2N2O3S2 — CID 86885324

IUPACN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1nc(-c2ccccc2OC(F)F)cs1
InChIInChI=1S/C18H14F2N2O3S2/c19-17(20)25-14-5-2-1-4-11(14)12-10-27-18(21-12)22-16(24)8-7-13(23)15-6-3-9-26-15/h1-6,9-10,17H,7-8H2,(H,21,22,24)
InChIKeyAEQZWJQTXAXCFM-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.07
Rot. Bonds8

About N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide

N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 86885324) has the molecular formula C18H14F2N2O3S2 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID86885324
Molecular FormulaC18H14F2N2O3S2
Molecular Weight408.45 g/mol
Exact Mass408.04
IUPAC NameN-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1nc(-c2ccccc2OC(F)F)cs1
InChIInChI=1S/C18H14F2N2O3S2/c19-17(20)25-14-5-2-1-4-11(14)12-10-27-18(21-12)22-16(24)8-7-13(23)15-6-3-9-26-15/h1-6,9-10,17H,7-8H2,(H,21,22,24)
InChIKeyAEQZWJQTXAXCFM-UHFFFAOYSA-N
XLogP5.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide
CID 56573359
(2-oxo-2-thiophen-2-ylethyl) 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
CID 3995230
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 32649718
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119317540
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methanol
CID 55157591
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide (CID 86885324) is N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1nc(-c2ccccc2OC(F)F)cs1.
What is the InChIKey of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is AEQZWJQTXAXCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S2/c19-17(20)25-14-5-2-1-4-11(14)12-10-27-18(21-12)22-16(24)8-7-13(23)15-6-3-9-26-15/h1-6,9-10,17H,7-8H2,(H,21,22,24).
What are the key properties of N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 408.45 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 86885324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).