1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide

C12H14FN3O2S2 — CID 110719640

IUPAC1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
SMILESCNc1nc(CNS(=O)(=O)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C12H14FN3O2S2/c1-14-12-16-11(7-19-12)6-15-20(17,18)8-9-2-4-10(13)5-3-9/h2-5,7,15H,6,8H2,1H3,(H,14,16)
InChIKeyGEDDAXZMPZXXAT-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.94
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide (PubChem CID 110719640) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
PubChem CID110719640
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
SMILESCNc1nc(CNS(=O)(=O)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C12H14FN3O2S2/c1-14-12-16-11(7-19-12)6-15-20(17,18)8-9-2-4-10(13)5-3-9/h2-5,7,15H,6,8H2,1H3,(H,14,16)
InChIKeyGEDDAXZMPZXXAT-UHFFFAOYSA-N
XLogP1.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110719646
4-[(dimethylsulfamoylamino)methyl]-2-(methylamino)-1,3-thiazole
CID 110719604
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718501
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 130632484
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376809

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide (CID 110719640) is 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide is CNc1nc(CNS(=O)(=O)Cc2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide?
The InChIKey is GEDDAXZMPZXXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-14-12-16-11(7-19-12)6-15-20(17,18)8-9-2-4-10(13)5-3-9/h2-5,7,15H,6,8H2,1H3,(H,14,16).
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110719640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).