2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide

C22H30FN5O3S — CID 4308382

IUPAC2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NCCN2CCCCC2)cs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H30FN5O3S/c1-31-14-13-28(22(30)26-18-8-4-3-7-17(18)23)15-20-25-19(16-32-20)21(29)24-9-12-27-10-5-2-6-11-27/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,24,29)(H,26,30)
InChIKeyVBHWAQFLSOIXAN-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.18
Rot. Bonds10

About 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide

2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 4308382) has the molecular formula C22H30FN5O3S and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID4308382
Molecular FormulaC22H30FN5O3S
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC Name2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NCCN2CCCCC2)cs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H30FN5O3S/c1-31-14-13-28(22(30)26-18-8-4-3-7-17(18)23)15-20-25-19(16-32-20)21(29)24-9-12-27-10-5-2-6-11-27/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,24,29)(H,26,30)
InChIKeyVBHWAQFLSOIXAN-UHFFFAOYSA-N
XLogP3.18
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 3895341
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 42769572
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949
methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 3969919
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3908248
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4213496
N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3300880
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5025260
N-propyl-2-[[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765731
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 3376434
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 5219781

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide (CID 4308382) is 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide is COCCN(Cc1nc(C(=O)NCCN2CCCCC2)cs1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VBHWAQFLSOIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O3S/c1-31-14-13-28(22(30)26-18-8-4-3-7-17(18)23)15-20-25-19(16-32-20)21(29)24-9-12-27-10-5-2-6-11-27/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,24,29)(H,26,30).
What are the key properties of 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4308382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).