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

C16H19FN2OS2 — CID 87033519

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CSCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2OS2/c1-11(2)19(3)15(20)10-21-8-14-9-22-16(18-14)12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyMMDHWLSZSQEZTL-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.05
Rot. Bonds6

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

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 87033519) has the molecular formula C16H19FN2OS2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide
PubChem CID87033519
Molecular FormulaC16H19FN2OS2
Molecular Weight338.47 g/mol
Exact Mass338.09
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CSCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2OS2/c1-11(2)19(3)15(20)10-21-8-14-9-22-16(18-14)12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3
InChIKeyMMDHWLSZSQEZTL-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46575785
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997632
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 55570494
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815864
N-(2-chlorophenyl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 34509783
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997652
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide (CID 87033519) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CSCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is MMDHWLSZSQEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS2/c1-11(2)19(3)15(20)10-21-8-14-9-22-16(18-14)12-4-6-13(17)7-5-12/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 338.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 87033519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).