2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C15H13FN4OS2 — CID 7151018

IUPAC2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)Nc1nccs1
InChIInChI=1S/C15H13FN4OS2/c16-12-3-1-11(2-4-12)9-20-7-5-18-15(20)23-10-13(21)19-14-17-6-8-22-14/h1-8H,9-10H2,(H,17,19,21)
InChIKeyZMQBLAFGGRIWLA-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7151018) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7151018
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nccn1Cc1ccc(F)cc1)Nc1nccs1
InChIInChI=1S/C15H13FN4OS2/c16-12-3-1-11(2-4-12)9-20-7-5-18-15(20)23-10-13(21)19-14-17-6-8-22-14/h1-8H,9-10H2,(H,17,19,21)
InChIKeyZMQBLAFGGRIWLA-UHFFFAOYSA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 847800
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 35961712
2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3593088
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 16806653
N-[[4-(4-fluorophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 4097903
2-[[5-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 18577168
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 5055902
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791045
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791044
4-fluoro-N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 4235054

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 7151018) is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1nccs1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZMQBLAFGGRIWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c16-12-3-1-11(2-4-12)9-20-7-5-18-15(20)23-10-13(21)19-14-17-6-8-22-14/h1-8H,9-10H2,(H,17,19,21).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7151018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).