1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide

C16H14F2N2O2S3 — CID 121121873

IUPAC1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
SMILESCc1nc(-c2cccs2)sc1CNS(=O)(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N2O2S3/c1-10-15(24-16(20-10)14-3-2-4-23-14)8-19-25(21,22)9-11-5-12(17)7-13(18)6-11/h2-7,19H,8-9H2,1H3
InChIKeyABIICGSFZRCVMC-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.08
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide (PubChem CID 121121873) has the molecular formula C16H14F2N2O2S3 and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
PubChem CID121121873
Molecular FormulaC16H14F2N2O2S3
Molecular Weight400.50 g/mol
Exact Mass400.02
IUPAC Name1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
SMILESCc1nc(-c2cccs2)sc1CNS(=O)(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N2O2S3/c1-10-15(24-16(20-10)14-3-2-4-23-14)8-19-25(21,22)9-11-5-12(17)7-13(18)6-11/h2-7,19H,8-9H2,1H3
InChIKeyABIICGSFZRCVMC-UHFFFAOYSA-N
XLogP4.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121878
3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 71795454
2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121789
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121796
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
3-(4-fluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 71960575
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide (CID 121121873) is 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide is Cc1nc(-c2cccs2)sc1CNS(=O)(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide?
The InChIKey is ABIICGSFZRCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S3/c1-10-15(24-16(20-10)14-3-2-4-23-14)8-19-25(21,22)9-11-5-12(17)7-13(18)6-11/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 121121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).