1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

C23H25FN4O2S — CID 140567327

IUPAC1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2ccc(-c3cccc(F)c3)cn2)CC1)OCc1nccs1
InChIInChI=1S/C23H25FN4O2S/c24-20-3-1-2-18(14-20)19-4-5-21(27-15-19)28-11-7-17(8-12-28)6-9-26-23(29)30-16-22-25-10-13-31-22/h1-5,10,13-15,17H,6-9,11-12,16H2,(H,26,29)
InChIKeyPLMSYLCOMIWRJZ-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.88
Rot. Bonds7

About 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate

1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 140567327) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID140567327
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESO=C(NCCC1CCN(c2ccc(-c3cccc(F)c3)cn2)CC1)OCc1nccs1
InChIInChI=1S/C23H25FN4O2S/c24-20-3-1-2-18(14-20)19-4-5-21(27-15-19)28-11-7-17(8-12-28)6-9-26-23(29)30-16-22-25-10-13-31-22/h1-5,10,13-15,17H,6-9,11-12,16H2,(H,26,29)
InChIKeyPLMSYLCOMIWRJZ-UHFFFAOYSA-N
XLogP4.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Pyridin-2-yl-8-[[[5-(1,3-thiazol-2-yl)-2-pyridinyl]amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44159473
US9688672, Example 428
CID 129286851
US9688672, Example 440
CID 129286852
US11407737, Example 15
CID 162764875
US11208423, Example 42
CID 163200985
2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 117089241
N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-3-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11511600
N-[[(5S)-3-[3-fluoro-4-[4-(5-thiophen-2-yl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11555035
Ethyl 4-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 15603566
N-[[(5S)-3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16061679
N-[[(5S)-3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 16061680
N-[[(5S)-3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16061787

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 140567327) is 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2ccc(-c3cccc(F)c3)cn2)CC1)OCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is PLMSYLCOMIWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c24-20-3-1-2-18(14-20)19-4-5-21(27-15-19)28-11-7-17(8-12-28)6-9-26-23(29)30-16-22-25-10-13-31-22/h1-5,10,13-15,17H,6-9,11-12,16H2,(H,26,29).
What are the key properties of 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl N-[2-[1-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 140567327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).