(2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate

C24H26FN5O3S — CID 67420221

IUPAC(2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate
SMILESNC(=O)c1nc(COC(=O)NCCC2CCN(c3ccccn3)CC2c2ccc(F)cc2)cs1
InChIInChI=1S/C24H26FN5O3S/c25-18-6-4-16(5-7-18)20-13-30(21-3-1-2-10-27-21)12-9-17(20)8-11-28-24(32)33-14-19-15-34-23(29-19)22(26)31/h1-7,10,15,17,20H,8-9,11-14H2,(H2,26,31)(H,28,32)
InChIKeyDXKSQOPIIJKOHK-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.70
Rot. Bonds8

About (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate

(2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate (PubChem CID 67420221) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name(2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate
PubChem CID67420221
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name(2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate
SMILESNC(=O)c1nc(COC(=O)NCCC2CCN(c3ccccn3)CC2c2ccc(F)cc2)cs1
InChIInChI=1S/C24H26FN5O3S/c25-18-6-4-16(5-7-18)20-13-30(21-3-1-2-10-27-21)12-9-17(20)8-11-28-24(32)33-14-19-15-34-23(29-19)22(26)31/h1-7,10,15,17,20H,8-9,11-14H2,(H2,26,31)(H,28,32)
InChIKeyDXKSQOPIIJKOHK-UHFFFAOYSA-N
XLogP3.70
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-nitrophenyl) N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate
CID 123531411
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
1,3-thiazol-4-ylmethyl N-[[1-[6-(3,5-difluorophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 140567356
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide
CID 124515076
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide
CID 169224360
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68573837
benzyl N-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(1-pyridin-2-ylpyrrolidin-3-yl)amino]pentyl]carbamate
CID 166376476
1-[3-(4-fluorophenoxy)propyl]-4-pyridin-2-yl-1,4-diazepane-2-carboxamide
CID 57036160

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate?
The IUPAC name of (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate (CID 67420221) is (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate?
The canonical SMILES for (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate is NC(=O)c1nc(COC(=O)NCCC2CCN(c3ccccn3)CC2c2ccc(F)cc2)cs1.
What is the InChIKey of (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate?
The InChIKey is DXKSQOPIIJKOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c25-18-6-4-16(5-7-18)20-13-30(21-3-1-2-10-27-21)12-9-17(20)8-11-28-24(32)33-14-19-15-34-23(29-19)22(26)31/h1-7,10,15,17,20H,8-9,11-14H2,(H2,26,31)(H,28,32).
What are the key properties of (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate?
(2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate has a molecular weight of 483.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-1,3-thiazol-4-yl)methyl N-[2-[3-(4-fluorophenyl)-1-pyridin-2-ylpiperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 67420221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).