N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C17H13F2N5O2S2 — CID 24665978

IUPACN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1nc(NC(=O)Cc2csc(-c3ccco3)n2)sc1-c1nccn1C(F)F
InChIInChI=1S/C17H13F2N5O2S2/c1-9-13(14-20-4-5-24(14)16(18)19)28-17(21-9)23-12(25)7-10-8-27-15(22-10)11-3-2-6-26-11/h2-6,8,16H,7H2,1H3,(H,21,23,25)
InChIKeyKQNJJVSRALHCLO-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.61
Rot. Bonds6

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24665978) has the molecular formula C17H13F2N5O2S2 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID24665978
Molecular FormulaC17H13F2N5O2S2
Molecular Weight421.45 g/mol
Exact Mass421.05
IUPAC NameN-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1nc(NC(=O)Cc2csc(-c3ccco3)n2)sc1-c1nccn1C(F)F
InChIInChI=1S/C17H13F2N5O2S2/c1-9-13(14-20-4-5-24(14)16(18)19)28-17(21-9)23-12(25)7-10-8-27-15(22-10)11-3-2-6-26-11/h2-6,8,16H,7H2,1H3,(H,21,23,25)
InChIKeyKQNJJVSRALHCLO-UHFFFAOYSA-N
XLogP4.61
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768400
N-(4,5-Dimethyl-thiazol-2-yl)-2-(4-ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 649166
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-methyl-thiazol-2-yl)-acetamide
CID 648215
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2954746
2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 654920
2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 656147
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 697316
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 24665978) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1nc(NC(=O)Cc2csc(-c3ccco3)n2)sc1-c1nccn1C(F)F.
What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KQNJJVSRALHCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2S2/c1-9-13(14-20-4-5-24(14)16(18)19)28-17(21-9)23-12(25)7-10-8-27-15(22-10)11-3-2-6-26-11/h2-6,8,16H,7H2,1H3,(H,21,23,25).
What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 421.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24665978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).