1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

C14H16F2N2O2S2 — CID 97331125

IUPAC1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCCc1cnc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2F)s1
InChIInChI=1S/C14H16F2N2O2S2/c1-3-10-7-17-14(21-10)9(2)18-22(19,20)8-11-12(15)5-4-6-13(11)16/h4-7,9,18H,3,8H2,1-2H3/t9-/m1/s1
InChIKeySXMWFADOIQGPCT-SECBINFHSA-N
MW346.42 g/mol
LogP3.16
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide

1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 97331125) has the molecular formula C14H16F2N2O2S2 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
PubChem CID97331125
Molecular FormulaC14H16F2N2O2S2
Molecular Weight346.42 g/mol
Exact Mass346.06
IUPAC Name1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCCc1cnc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2F)s1
InChIInChI=1S/C14H16F2N2O2S2/c1-3-10-7-17-14(21-10)9(2)18-22(19,20)8-11-12(15)5-4-6-13(11)16/h4-7,9,18H,3,8H2,1-2H3/t9-/m1/s1
InChIKeySXMWFADOIQGPCT-SECBINFHSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 112697218
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115679627
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
4-(difluoromethylsulfonyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]aniline
CID 133335803
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
1-(2,4-difluorophenyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115679837
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
CID 115679317
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104792050
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide (CID 97331125) is 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is CCc1cnc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2F)s1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is SXMWFADOIQGPCT-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F2N2O2S2/c1-3-10-7-17-14(21-10)9(2)18-22(19,20)8-11-12(15)5-4-6-13(11)16/h4-7,9,18H,3,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 97331125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).