N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide

C16H18FN3OS2 — CID 50958866

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1ccc(F)cc1)NCc1cn2c(n1)SCC2
InChIInChI=1S/C16H18FN3OS2/c17-13-3-1-12(2-4-13)11-22-7-5-15(21)18-9-14-10-20-6-8-23-16(20)19-14/h1-4,10H,5-9,11H2,(H,18,21)
InChIKeyDDTKRPHQAFMYBC-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.07
Rot. Bonds7

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 50958866) has the molecular formula C16H18FN3OS2 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide
PubChem CID50958866
Molecular FormulaC16H18FN3OS2
Molecular Weight351.47 g/mol
Exact Mass351.09
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1ccc(F)cc1)NCc1cn2c(n1)SCC2
InChIInChI=1S/C16H18FN3OS2/c17-13-3-1-12(2-4-13)11-22-7-5-15(21)18-9-14-10-20-6-8-23-16(20)19-14/h1-4,10H,5-9,11H2,(H,18,21)
InChIKeyDDTKRPHQAFMYBC-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide (CID 50958866) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide is O=C(CCSCc1ccc(F)cc1)NCc1cn2c(n1)SCC2.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is DDTKRPHQAFMYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS2/c17-13-3-1-12(2-4-13)11-22-7-5-15(21)18-9-14-10-20-6-8-23-16(20)19-14/h1-4,10H,5-9,11H2,(H,18,21).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide has a molecular weight of 351.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 50958866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).