N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide

C14H17FN2O2S2 — CID 110645419

IUPACN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C14H17FN2O2S2/c1-3-21(18,19)16-9-14-17-10(2)13(20-14)8-11-4-6-12(15)7-5-11/h4-7,16H,3,8-9H2,1-2H3
InChIKeyLAQBSMWILGLBHS-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.62
Rot. Bonds6

About N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide (PubChem CID 110645419) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
PubChem CID110645419
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C14H17FN2O2S2/c1-3-21(18,19)16-9-14-17-10(2)13(20-14)8-11-4-6-12(15)7-5-11/h4-7,16H,3,8-9H2,1-2H3
InChIKeyLAQBSMWILGLBHS-UHFFFAOYSA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide (CID 110645419) is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(C)c(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is LAQBSMWILGLBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-3-21(18,19)16-9-14-17-10(2)13(20-14)8-11-4-6-12(15)7-5-11/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 110645419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).