2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide

C22H26FN5OS — CID 138997042

IUPAC2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide
SMILESCn1ccnc1N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C22H26FN5OS/c1-22(2,18-14-30-19(26-18)16-6-4-5-7-17(16)23)20(29)25-15-8-11-28(12-9-15)21-24-10-13-27(21)3/h4-7,10,13-15H,8-9,11-12H2,1-3H3,(H,25,29)
InChIKeyDFPCIYPLXOZYRT-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.75
Rot. Bonds5

About 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide

2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 138997042) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide
PubChem CID138997042
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC Name2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide
SMILESCn1ccnc1N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C22H26FN5OS/c1-22(2,18-14-30-19(26-18)16-6-4-5-7-17(16)23)20(29)25-15-8-11-28(12-9-15)21-24-10-13-27(21)3/h4-7,10,13-15H,8-9,11-12H2,1-3H3,(H,25,29)
InChIKeyDFPCIYPLXOZYRT-UHFFFAOYSA-N
XLogP3.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90192038
6-(4-fluorophenyl)-3-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3237288
6-(4-fluorophenyl)-3-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 5309991
1-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-1-(3-imidazol-1-ylpropyl)-3-[(1R,2S)-2-phenylcyclopropyl]urea;2,2,2-trifluoroacetic acid
CID 44536444
1-[[2-[4-[(Benzylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]-3-cyclohexyl-1-(3-imidazol-1-ylpropyl)urea;2,2,2-trifluoroacetic acid
CID 44536458
(3S)-3-[2-[2-(1H-imidazole-2-carbonylamino)phenyl]-1,3-thiazol-4-yl]-N-methylpiperidine-1-carboxamide
CID 137633249
N-[[4-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butanamide
CID 136042377
N-[2-[4-[(3S)-1-acetylpiperidin-3-yl]-1,3-thiazol-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 137654115
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236573
6-(4-fluorophenyl)-3-methyl-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5310245
N-[2-(diethylamino)ethyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5310344
N-benzyl-2-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-3-yl)acetamide
CID 16029116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide (CID 138997042) is 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide is Cn1ccnc1N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is DFPCIYPLXOZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-22(2,18-14-30-19(26-18)16-6-4-5-7-17(16)23)20(29)25-15-8-11-28(12-9-15)21-24-10-13-27(21)3/h4-7,10,13-15H,8-9,11-12H2,1-3H3,(H,25,29).
What are the key properties of 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide?
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138997042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).