4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

C19H22FN3OS — CID 126784193

IUPAC4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)c2scnc2C2CC2)C1
InChIInChI=1S/C19H22FN3OS/c1-12-9-14(20)6-7-16(12)23-8-2-3-15(10-23)22-19(24)18-17(13-4-5-13)21-11-25-18/h6-7,9,11,13,15H,2-5,8,10H2,1H3,(H,22,24)
InChIKeyJGDUILSOLWFICS-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.87
Rot. Bonds4

About 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126784193) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID126784193
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)c2scnc2C2CC2)C1
InChIInChI=1S/C19H22FN3OS/c1-12-9-14(20)6-7-16(12)23-8-2-3-15(10-23)22-19(24)18-17(13-4-5-13)21-11-25-18/h6-7,9,11,13,15H,2-5,8,10H2,1H3,(H,22,24)
InChIKeyJGDUILSOLWFICS-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 126791670
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119883922
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 126784193) is 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is Cc1cc(F)ccc1N1CCCC(NC(=O)c2scnc2C2CC2)C1.
What is the InChIKey of 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is JGDUILSOLWFICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-12-9-14(20)6-7-16(12)23-8-2-3-15(10-23)22-19(24)18-17(13-4-5-13)21-11-25-18/h6-7,9,11,13,15H,2-5,8,10H2,1H3,(H,22,24).
What are the key properties of 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).