1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine

C17H20F2N2O2S2 — CID 154740060

IUPAC1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine
SMILESCS(=O)(=O)Cc1nc(CNC2(c3ccc(F)cc3F)CCCC2)cs1
InChIInChI=1S/C17H20F2N2O2S2/c1-25(22,23)11-16-21-13(10-24-16)9-20-17(6-2-3-7-17)14-5-4-12(18)8-15(14)19/h4-5,8,10,20H,2-3,6-7,9,11H2,1H3
InChIKeyRTRJVYDCSGWVSL-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.53
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine

1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine (PubChem CID 154740060) has the molecular formula C17H20F2N2O2S2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine
PubChem CID154740060
Molecular FormulaC17H20F2N2O2S2
Molecular Weight386.49 g/mol
Exact Mass386.09
IUPAC Name1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine
SMILESCS(=O)(=O)Cc1nc(CNC2(c3ccc(F)cc3F)CCCC2)cs1
InChIInChI=1S/C17H20F2N2O2S2/c1-25(22,23)11-16-21-13(10-24-16)9-20-17(6-2-3-7-17)14-5-4-12(18)8-15(14)19/h4-5,8,10,20H,2-3,6-7,9,11H2,1H3
InChIKeyRTRJVYDCSGWVSL-UHFFFAOYSA-N
XLogP3.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[1-(2,4-difluorophenyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-amine
CID 120902010
2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 115665483
1-(1-adamantyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 75423297
N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 138056231
1-(2,4-difluorophenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]cyclopentan-1-amine
CID 99793225
1-(2,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 83684038
(2S)-N-[1-(2,4-difluorophenyl)cyclobutyl]-2-methoxypropane-1-sulfonamide
CID 99844261
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66380830
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66390760
[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 64559869
N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
CID 139007664
2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-[1-(2,5-difluorophenyl)cyclopentyl]-1,3-thiazole-4-sulfonamide
CID 167829003

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine (CID 154740060) is 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine is CS(=O)(=O)Cc1nc(CNC2(c3ccc(F)cc3F)CCCC2)cs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine?
The InChIKey is RTRJVYDCSGWVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S2/c1-25(22,23)11-16-21-13(10-24-16)9-20-17(6-2-3-7-17)14-5-4-12(18)8-15(14)19/h4-5,8,10,20H,2-3,6-7,9,11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine?
1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine has a molecular weight of 386.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 154740060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).