3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide

C26H27FN4O2S — CID 118304404

IUPAC3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
SMILESCC(=O)N1CCC(NC2CC2c2cccc(C(=O)Nc3cnc(-c4ccc(F)cc4)s3)c2)CC1
InChIInChI=1S/C26H27FN4O2S/c1-16(32)31-11-9-21(10-12-31)29-23-14-22(23)18-3-2-4-19(13-18)25(33)30-24-15-28-26(34-24)17-5-7-20(27)8-6-17/h2-8,13,15,21-23,29H,9-12,14H2,1H3,(H,30,33)
InChIKeyOPGCNSUAYHIAGB-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.66
Rot. Bonds6

About 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide

3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide (PubChem CID 118304404) has the molecular formula C26H27FN4O2S and a molecular weight of 478.59 g/mol. Its IUPAC name is 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
PubChem CID118304404
Molecular FormulaC26H27FN4O2S
Molecular Weight478.59 g/mol
Exact Mass478.18
IUPAC Name3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
SMILESCC(=O)N1CCC(NC2CC2c2cccc(C(=O)Nc3cnc(-c4ccc(F)cc4)s3)c2)CC1
InChIInChI=1S/C26H27FN4O2S/c1-16(32)31-11-9-21(10-12-31)29-23-14-22(23)18-3-2-4-19(13-18)25(33)30-24-15-28-26(34-24)17-5-7-20(27)8-6-17/h2-8,13,15,21-23,29H,9-12,14H2,1H3,(H,30,33)
InChIKeyOPGCNSUAYHIAGB-UHFFFAOYSA-N
XLogP4.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide with MolForge

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Related Compounds

N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304877
[2-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 44570568
3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118303965
US11660293, Example 202
CID 137535443
N-{[1-(1,3-thiazol-2-ylmethyl)-3-piperidinyl]methyl}-1-naphthamide
CID 24793212
4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide
CID 44579234
N,N-dimethyl-3-[4-[(1S,5R)-3-(2-thiazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
CID 60185005
3-(2-fluoro-4-methylphenyl)-N-(1-pyrazin-2-ylethyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167490
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167491
3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
CID 59432538
(r)-4'-Methyl-5-thiazol-2-yl-biphenyl-3-carboxylic acid (1-methyl-2-morpholin-4-yl-ethyl)-amide
CID 59432539
3-(2-chloro-4-fluorophenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
CID 59432546

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide (CID 118304404) is 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide is CC(=O)N1CCC(NC2CC2c2cccc(C(=O)Nc3cnc(-c4ccc(F)cc4)s3)c2)CC1.
What is the InChIKey of 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
The InChIKey is OPGCNSUAYHIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2S/c1-16(32)31-11-9-21(10-12-31)29-23-14-22(23)18-3-2-4-19(13-18)25(33)30-24-15-28-26(34-24)17-5-7-20(27)8-6-17/h2-8,13,15,21-23,29H,9-12,14H2,1H3,(H,30,33).
What are the key properties of 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide?
3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-acetylpiperidin-4-yl)amino]cyclopropyl]-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 118304404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).