N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

C16H15FN4OS2 — CID 1451029

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)sc1C
InChIInChI=1S/C16H15FN4OS2/c1-9-10(2)24-16(19-9)21-14(22)8-23-15-18-7-13(20-15)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyOXUMYZDTROJTST-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.02
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 1451029) has the molecular formula C16H15FN4OS2 and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
PubChem CID1451029
Molecular FormulaC16H15FN4OS2
Molecular Weight362.46 g/mol
Exact Mass362.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)sc1C
InChIInChI=1S/C16H15FN4OS2/c1-9-10(2)24-16(19-9)21-14(22)8-23-15-18-7-13(20-15)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyOXUMYZDTROJTST-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (CID 1451029) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is Cc1nc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The InChIKey is OXUMYZDTROJTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS2/c1-9-10(2)24-16(19-9)21-14(22)8-23-15-18-7-13(20-15)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 362.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1451029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).