N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C19H11F5N4OS — CID 26176224

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H11F5N4OS/c20-11-6-5-10(7-12(11)21)14-9-30-18(26-14)27-16(29)8-28-15-4-2-1-3-13(15)25-17(28)19(22,23)24/h1-7,9H,8H2,(H,26,27,29)
InChIKeyLTZQCYMBUBXMNT-UHFFFAOYSA-N
MW438.38 g/mol
LogP5.10
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 26176224) has the molecular formula C19H11F5N4OS and a molecular weight of 438.38 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID26176224
Molecular FormulaC19H11F5N4OS
Molecular Weight438.38 g/mol
Exact Mass438.06
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C19H11F5N4OS/c20-11-6-5-10(7-12(11)21)14-9-30-18(26-14)27-16(29)8-28-15-4-2-1-3-13(15)25-17(28)19(22,23)24/h1-7,9H,8H2,(H,26,27,29)
InChIKeyLTZQCYMBUBXMNT-UHFFFAOYSA-N
XLogP5.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
[1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4302998
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 32623205
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 78828079
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 24514134
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4879221
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 31041636
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
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N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 26176224) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is LTZQCYMBUBXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4OS/c20-11-6-5-10(7-12(11)21)14-9-30-18(26-14)27-16(29)8-28-15-4-2-1-3-13(15)25-17(28)19(22,23)24/h1-7,9H,8H2,(H,26,27,29).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 438.38 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 26176224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).