1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

C17H21FN4OS — CID 75435549

IUPAC1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)NC2CCCN(c3ccccc3F)C2)s1
InChIInChI=1S/C17H21FN4OS/c1-12-9-19-16(24-12)10-20-17(23)21-13-5-4-8-22(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H2,20,21,23)
InChIKeyIOTHHGKFHCOMSN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.06
Rot. Bonds4

About 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 75435549) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID75435549
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)NC2CCCN(c3ccccc3F)C2)s1
InChIInChI=1S/C17H21FN4OS/c1-12-9-19-16(24-12)10-20-17(23)21-13-5-4-8-22(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H2,20,21,23)
InChIKeyIOTHHGKFHCOMSN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(2-(Aminomethyl)thiazol-5-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11634329
3-(3-Chloro-4-fluorophenyl)-1-(4-(2-((dimethylamino)methyl)thiazol-5-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11670645
1-(4-(5-(Aminomethyl)thiazol-2-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
CID 11691468
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368403
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-phenylacetamide
CID 163368435
(3R,5S)-N-benzyl-3,5-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134142518
1-Benzyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696302
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 168280456
2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-N-(5-methyl-thiazol-2-yl)-acetamide
CID 9549597
N-(5-methyl-1,3-thiazol-2-yl)-4-phenylpiperazine-1-carboxamide
CID 162664555
(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636976

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 75435549) is 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1cnc(CNC(=O)NC2CCCN(c3ccccc3F)C2)s1.
What is the InChIKey of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is IOTHHGKFHCOMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-12-9-19-16(24-12)10-20-17(23)21-13-5-4-8-22(11-13)15-7-3-2-6-14(15)18/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 348.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)piperidin-3-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 75435549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).