1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide

C21H23FN4OS — CID 53187221

IUPAC1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1
InChIInChI=1S/C21H23FN4OS/c1-2-11-23-19(27)14-9-12-26(13-10-14)21-25-18-8-7-17(24-20(18)28-21)15-5-3-4-6-16(15)22/h3-8,14H,2,9-13H2,1H3,(H,23,27)
InChIKeyMMSULYRUPMNWHZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.24
Rot. Bonds5

About 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide

1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide (PubChem CID 53187221) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide
PubChem CID53187221
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1
InChIInChI=1S/C21H23FN4OS/c1-2-11-23-19(27)14-9-12-26(13-10-14)21-25-18-8-7-17(24-20(18)28-21)15-5-3-4-6-16(15)22/h3-8,14H,2,9-13H2,1H3,(H,23,27)
InChIKeyMMSULYRUPMNWHZ-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 49838747
4-(5-amino-2-(4-fluorophenyl)-thiazolo[5,4-d]pyrimidin-7-yl)-N-p-tolylpiperazine-1-carboxamide
CID 46916428
4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 46916474
N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 49838621
N-[5-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 49838989
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70276830
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390569
4-(2-amino-1,3-benzothiazol-7-yl)-1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]butan-1-one
CID 150393629
US11660293, Example 61
CID 137527030
1-(benzo[d]thiazol-2-yl)-N-phenethylpiperidine-3-carboxamide
CID 3224281
N-1,3-benzothiazol-2-yl-2-[4-(4-fluorobenzyl)-1-piperazinyl]acetamide
CID 6468116
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 15987809

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide (CID 53187221) is 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide?
The InChIKey is MMSULYRUPMNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-2-11-23-19(27)14-9-12-26(13-10-14)21-25-18-8-7-17(24-20(18)28-21)15-5-3-4-6-16(15)22/h3-8,14H,2,9-13H2,1H3,(H,23,27).
What are the key properties of 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide?
1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).