2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C15H14FN5OS2 — CID 7151020

IUPAC2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN5OS2/c1-10-19-20-14(24-10)18-13(22)9-23-15-17-6-7-21(15)8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3,(H,18,20,22)
InChIKeyPQLJIIDHCOTLKP-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.96
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7151020) has the molecular formula C15H14FN5OS2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7151020
Molecular FormulaC15H14FN5OS2
Molecular Weight363.44 g/mol
Exact Mass363.06
IUPAC Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2Cc2ccc(F)cc2)s1
InChIInChI=1S/C15H14FN5OS2/c1-10-19-20-14(24-10)18-13(22)9-23-15-17-6-7-21(15)8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3,(H,18,20,22)
InChIKeyPQLJIIDHCOTLKP-UHFFFAOYSA-N
XLogP2.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7151020) is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nccn2Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PQLJIIDHCOTLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS2/c1-10-19-20-14(24-10)18-13(22)9-23-15-17-6-7-21(15)8-11-2-4-12(16)5-3-11/h2-7H,8-9H2,1H3,(H,18,20,22).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7151020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).