N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide

C18H19FN4OS2 — CID 71802099

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)CSc3ccc(F)cc3)cs2)n1
InChIInChI=1S/C18H19FN4OS2/c1-12-9-13(2)23(22-12)18-21-15(10-26-18)7-8-20-17(24)11-25-16-5-3-14(19)4-6-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)
InChIKeyURVPCZAEPXVAQV-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.54
Rot. Bonds7

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 71802099) has the molecular formula C18H19FN4OS2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID71802099
Molecular FormulaC18H19FN4OS2
Molecular Weight390.51 g/mol
Exact Mass390.10
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)CSc3ccc(F)cc3)cs2)n1
InChIInChI=1S/C18H19FN4OS2/c1-12-9-13(2)23(22-12)18-21-15(10-26-18)7-8-20-17(24)11-25-16-5-3-14(19)4-6-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)
InChIKeyURVPCZAEPXVAQV-UHFFFAOYSA-N
XLogP3.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 71802099) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide is Cc1cc(C)n(-c2nc(CCNC(=O)CSc3ccc(F)cc3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is URVPCZAEPXVAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS2/c1-12-9-13(2)23(22-12)18-21-15(10-26-18)7-8-20-17(24)11-25-16-5-3-14(19)4-6-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 390.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 71802099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).