5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

C19H16ClFN2O2S2 — CID 16850116

IUPAC5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(CSCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H16ClFN2O2S2/c1-25-17-7-4-13(20)8-16(17)18(24)23-19-22-15(11-27-19)10-26-9-12-2-5-14(21)6-3-12/h2-8,11H,9-10H2,1H3,(H,22,23,24)
InChIKeyPLSZWVPRGCBZJB-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.63
Rot. Bonds7

About 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 16850116) has the molecular formula C19H16ClFN2O2S2 and a molecular weight of 422.93 g/mol. Its IUPAC name is 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID16850116
Molecular FormulaC19H16ClFN2O2S2
Molecular Weight422.93 g/mol
Exact Mass422.03
IUPAC Name5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(CSCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H16ClFN2O2S2/c1-25-17-7-4-13(20)8-16(17)18(24)23-19-22-15(11-27-19)10-26-9-12-2-5-14(21)6-3-12/h2-8,11H,9-10H2,1H3,(H,22,23,24)
InChIKeyPLSZWVPRGCBZJB-UHFFFAOYSA-N
XLogP5.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489062
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
2-methoxy-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2542040
3-(2-Methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572246
[2-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 57394845
3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 884692
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-4-fluoro-benzamide
CID 1138489
5-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304856
5-chloro-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-2-methoxybenzamide
CID 7518490
2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 16556940
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 49790230

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 16850116) is 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nc(CSCc2ccc(F)cc2)cs1.
What is the InChIKey of 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is PLSZWVPRGCBZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S2/c1-25-17-7-4-13(20)8-16(17)18(24)23-19-22-15(11-27-19)10-26-9-12-2-5-14(21)6-3-12/h2-8,11H,9-10H2,1H3,(H,22,23,24).
What are the key properties of 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 422.93 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 16850116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).