1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea

C17H21FN4OS — CID 154748763

IUPAC1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCN(c2cccc(F)c2)C1)c1nccs1
InChIInChI=1S/C17H21FN4OS/c1-12(16-19-7-9-24-16)20-17(23)21-14-5-3-8-22(11-14)15-6-2-4-13(18)10-15/h2,4,6-7,9-10,12,14H,3,5,8,11H2,1H3,(H2,20,21,23)
InChIKeyJILISDRMPPBXQB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds4

About 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea

1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 154748763) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID154748763
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
SMILESCC(NC(=O)NC1CCCN(c2cccc(F)c2)C1)c1nccs1
InChIInChI=1S/C17H21FN4OS/c1-12(16-19-7-9-24-16)20-17(23)21-14-5-3-8-22(11-14)15-6-2-4-13(18)10-15/h2,4,6-7,9-10,12,14H,3,5,8,11H2,1H3,(H2,20,21,23)
InChIKeyJILISDRMPPBXQB-UHFFFAOYSA-N
XLogP3.31
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884161
1-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95614224
N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119884186
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124782091

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea (CID 154748763) is 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is CC(NC(=O)NC1CCCN(c2cccc(F)c2)C1)c1nccs1.
What is the InChIKey of 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is JILISDRMPPBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-12(16-19-7-9-24-16)20-17(23)21-14-5-3-8-22(11-14)15-6-2-4-13(18)10-15/h2,4,6-7,9-10,12,14H,3,5,8,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea?
1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 348.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 154748763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).