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

C20H21FN4O2S2 — CID 132778978

IUPAC5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCC(Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1
InChIInChI=1S/C20H21FN4O2S2/c1-29(26,27)25-9-8-15(13-25)10-14-2-7-19(22-11-14)24-20-23-12-18(28-20)16-3-5-17(21)6-4-16/h2-7,11-12,15H,8-10,13H2,1H3,(H,22,23,24)
InChIKeyTTWSUTYOMURUMW-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.91
Rot. Bonds6

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

5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 132778978) has the molecular formula C20H21FN4O2S2 and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID132778978
Molecular FormulaC20H21FN4O2S2
Molecular Weight432.55 g/mol
Exact Mass432.11
IUPAC Name5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCC(Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1
InChIInChI=1S/C20H21FN4O2S2/c1-29(26,27)25-9-8-15(13-25)10-14-2-7-19(22-11-14)24-20-23-12-18(28-20)16-3-5-17(21)6-4-16/h2-7,11-12,15H,8-10,13H2,1H3,(H,22,23,24)
InChIKeyTTWSUTYOMURUMW-UHFFFAOYSA-N
XLogP3.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124939693
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
5-(4-fluorophenyl)-N-[4-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;dihydrochloride
CID 90097166
5-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 110112120
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110112138
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
N-[4-[[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]methyl]-2-pyridinyl]-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 129387106
2-(5-methyl-1H-pyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102093
5-[[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]pyridin-2-amine;formic acid
CID 171711101
N-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ylmethyl)-2-pyridinyl]-5-(4-fluorophenyl)-1,3-thiazol-2-amine;dihydrochloride
CID 90097120

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 132778978) is 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is CS(=O)(=O)N1CCC(Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is TTWSUTYOMURUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S2/c1-29(26,27)25-9-8-15(13-25)10-14-2-7-19(22-11-14)24-20-23-12-18(28-20)16-3-5-17(21)6-4-16/h2-7,11-12,15H,8-10,13H2,1H3,(H,22,23,24).
What are the key properties of 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 432.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 132778978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).