(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide

C22H21FN4O2S — CID 147737858

IUPAC(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(-c2ccccc2F)c1
InChIInChI=1S/C22H21FN4O2S/c1-13-21(14-8-9-25-17(11-14)15-5-2-3-6-16(15)23)30-19(26-13)12-20(28)27-10-4-7-18(27)22(24)29/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3,(H2,24,29)/t18-/m0/s1
InChIKeyGZSMYJYMEUZJHC-SFHVURJKSA-N
MW424.50 g/mol
LogP3.34
Rot. Bonds5

About (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 147737858) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID147737858
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(-c2ccccc2F)c1
InChIInChI=1S/C22H21FN4O2S/c1-13-21(14-8-9-25-17(11-14)15-5-2-3-6-16(15)23)30-19(26-13)12-20(28)27-10-4-7-18(27)22(24)29/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3,(H2,24,29)/t18-/m0/s1
InChIKeyGZSMYJYMEUZJHC-SFHVURJKSA-N
XLogP3.34
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
CID 158451190
ethyl 2-[4-[2-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylpropanoate;ethyl 2-[4-[2-(2-imidazol-1-yl-2-oxoethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylpropanoate;methane;(2S)-pyrrolidine-2-carboxamide;sulfane
CID 163993519
(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
CID 162215945
(2S,4S)-1-[2-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]acetyl]-4-ethylpyrrolidine-2-carboxamide
CID 163633721
1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 146697209
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
2-carbamothioyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 171535071
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
(2S)-1-N-[5-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]propan-2-yl]-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293680
(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293740
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647471
(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 52505416

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide (CID 147737858) is (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide is Cc1nc(CC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(-c2ccccc2F)c1.
What is the InChIKey of (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is GZSMYJYMEUZJHC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-13-21(14-8-9-25-17(11-14)15-5-2-3-6-16(15)23)30-19(26-13)12-20(28)27-10-4-7-18(27)22(24)29/h2-3,5-6,8-9,11,18H,4,7,10,12H2,1H3,(H2,24,29)/t18-/m0/s1.
What are the key properties of (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 147737858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).