1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H21F2N3O2S — CID 71888857

IUPAC1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)CCc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C19H21F2N3O2S/c1-12-11-27-19(22-12)23-18(26)13-7-9-24(10-8-13)17(25)6-5-14-15(20)3-2-4-16(14)21/h2-4,11,13H,5-10H2,1H3,(H,22,23,26)
InChIKeyNGUWMENDZFZDRQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.54
Rot. Bonds5

About 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 71888857) has the molecular formula C19H21F2N3O2S and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID71888857
Molecular FormulaC19H21F2N3O2S
Molecular Weight393.46 g/mol
Exact Mass393.13
IUPAC Name1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)CCc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C19H21F2N3O2S/c1-12-11-27-19(22-12)23-18(26)13-7-9-24(10-8-13)17(25)6-5-14-15(20)3-2-4-16(14)21/h2-4,11,13H,5-10H2,1H3,(H,22,23,26)
InChIKeyNGUWMENDZFZDRQ-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

H3B-120
CID 132355378
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2971098
N-(4-methylthiazol-2-yl)-2-phenylacetamide
CID 956653
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 16216716
(S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 44425292
2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 831465
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 16196354
N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 2915996
3-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-1,1-dimethylurea
CID 9986630
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methyl-thiazol-2-yl)-urea
CID 11442162
1-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 25110788

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 71888857) is 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)CCc3c(F)cccc3F)CC2)n1.
What is the InChIKey of 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is NGUWMENDZFZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2S/c1-12-11-27-19(22-12)23-18(26)13-7-9-24(10-8-13)17(25)6-5-14-15(20)3-2-4-16(14)21/h2-4,11,13H,5-10H2,1H3,(H,22,23,26).
What are the key properties of 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-difluorophenyl)propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71888857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).