N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide

C16H13F3N4OS2 — CID 7150976

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N4OS2/c1-10-8-25-14(21-10)22-13(24)9-26-15-20-5-6-23(15)12-4-2-3-11(7-12)16(17,18)19/h2-8H,9H2,1H3,(H,21,22,24)
InChIKeyTXPFOOVRNGNQDI-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.39
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7150976) has the molecular formula C16H13F3N4OS2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7150976
Molecular FormulaC16H13F3N4OS2
Molecular Weight398.44 g/mol
Exact Mass398.05
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H13F3N4OS2/c1-10-8-25-14(21-10)22-13(24)9-26-15-20-5-6-23(15)12-4-2-3-11(7-12)16(17,18)19/h2-8H,9H2,1H3,(H,21,22,24)
InChIKeyTXPFOOVRNGNQDI-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide (CID 7150976) is N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide is Cc1csc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is TXPFOOVRNGNQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS2/c1-10-8-25-14(21-10)22-13(24)9-26-15-20-5-6-23(15)12-4-2-3-11(7-12)16(17,18)19/h2-8H,9H2,1H3,(H,21,22,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 398.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).