N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide

C16H14F2N4O2S2 — CID 30593557

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1nc(NC(=O)CCC(=O)c2cccs2)sc1-c1nccn1C(F)F
InChIInChI=1S/C16H14F2N4O2S2/c1-9-13(14-19-6-7-22(14)15(17)18)26-16(20-9)21-12(24)5-4-10(23)11-3-2-8-25-11/h2-3,6-8,15H,4-5H2,1H3,(H,20,21,24)
InChIKeyJDNVZIUHYPOISJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.37
Rot. Bonds7

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 30593557) has the molecular formula C16H14F2N4O2S2 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID30593557
Molecular FormulaC16H14F2N4O2S2
Molecular Weight396.44 g/mol
Exact Mass396.05
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1nc(NC(=O)CCC(=O)c2cccs2)sc1-c1nccn1C(F)F
InChIInChI=1S/C16H14F2N4O2S2/c1-9-13(14-19-6-7-22(14)15(17)18)26-16(20-9)21-12(24)5-4-10(23)11-3-2-8-25-11/h2-3,6-8,15H,4-5H2,1H3,(H,20,21,24)
InChIKeyJDNVZIUHYPOISJ-UHFFFAOYSA-N
XLogP4.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide (CID 30593557) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide is Cc1nc(NC(=O)CCC(=O)c2cccs2)sc1-c1nccn1C(F)F.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is JDNVZIUHYPOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S2/c1-9-13(14-19-6-7-22(14)15(17)18)26-16(20-9)21-12(24)5-4-10(23)11-3-2-8-25-11/h2-3,6-8,15H,4-5H2,1H3,(H,20,21,24).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 396.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 30593557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).