3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C17H20FN3OS — CID 46680184

IUPAC3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3cccc(F)c3)n2)C1
InChIInChI=1S/C17H20FN3OS/c1-12-4-3-7-21(9-12)10-15-11-23-17(19-15)20-16(22)13-5-2-6-14(18)8-13/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H,19,20,22)
InChIKeyQMGQGAFZMCLEGY-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.77
Rot. Bonds4

About 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46680184) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID46680184
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3cccc(F)c3)n2)C1
InChIInChI=1S/C17H20FN3OS/c1-12-4-3-7-21(9-12)10-15-11-23-17(19-15)20-16(22)13-5-2-6-14(18)8-13/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H,19,20,22)
InChIKeyQMGQGAFZMCLEGY-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 24586670
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42929670
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 25345513
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-6-carboxamide
CID 55823340
4-(1,3-dithian-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 42929667
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24586641
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 46680184) is 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is CC1CCCN(Cc2csc(NC(=O)c3cccc(F)c3)n2)C1.
What is the InChIKey of 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QMGQGAFZMCLEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-12-4-3-7-21(9-12)10-15-11-23-17(19-15)20-16(22)13-5-2-6-14(18)8-13/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H,19,20,22).
What are the key properties of 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46680184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).