2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C21H21FN4OS — CID 95817937

IUPAC2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1
InChIInChI=1S/C21H21FN4OS/c22-17-7-2-1-5-15(17)13-16-6-3-8-18(24-16)19-9-4-11-26(19)14-20(27)25-21-23-10-12-28-21/h1-3,5-8,10,12,19H,4,9,11,13-14H2,(H,23,25,27)/t19-/m0/s1
InChIKeyCBWQDMGMOPQBSB-IBGZPJMESA-N
MW396.49 g/mol
LogP4.04
Rot. Bonds6

About 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95817937) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95817937
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1
InChIInChI=1S/C21H21FN4OS/c22-17-7-2-1-5-15(17)13-16-6-3-8-18(24-16)19-9-4-11-26(19)14-20(27)25-21-23-10-12-28-21/h1-3,5-8,10,12,19H,4,9,11,13-14H2,(H,23,25,27)/t19-/m0/s1
InChIKeyCBWQDMGMOPQBSB-IBGZPJMESA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
2-[(2-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254376
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
N-cyclohexyl-2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817931
N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817932
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97008723
6-[1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 110252930
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95817937) is 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)Nc1nccs1.
What is the InChIKey of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CBWQDMGMOPQBSB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-17-7-2-1-5-15(17)13-16-6-3-8-18(24-16)19-9-4-11-26(19)14-20(27)25-21-23-10-12-28-21/h1-3,5-8,10,12,19H,4,9,11,13-14H2,(H,23,25,27)/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95817937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).