N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C18H15FN2OS2 — CID 42030584

IUPACN-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2OS2/c1-12-20-15(10-23-12)11-24-17-5-3-2-4-16(17)18(22)21-14-8-6-13(19)7-9-14/h2-10H,11H2,1H3,(H,21,22)
InChIKeyLFRLLNBMWKXHIP-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.14
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 42030584) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID42030584
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC NameN-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2OS2/c1-12-20-15(10-23-12)11-24-17-5-3-2-4-16(17)18(22)21-14-8-6-13(19)7-9-14/h2-10H,11H2,1H3,(H,21,22)
InChIKeyLFRLLNBMWKXHIP-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 42030648
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55504077
N-(4-methyl-3-sulfamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46519402
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
methyl N-[4-[[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]methyl]phenyl]carbamate
CID 55964799
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46512551
N-(1-hydroxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 78857346
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55798569
N-[2-(methylamino)propyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 120826597
N-(6-methylheptan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55506970
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenylbutan-2-yl)benzamide
CID 51326786
N-[1-(3-acetamidophenyl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55581134

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 42030584) is N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is Cc1nc(CSc2ccccc2C(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is LFRLLNBMWKXHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-12-20-15(10-23-12)11-24-17-5-3-2-4-16(17)18(22)21-14-8-6-13(19)7-9-14/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 42030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).