N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide

C25H24FN5OS — CID 138585066

IUPACN-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(c1nccs1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H24FN5OS/c26-20-6-8-21(9-7-20)30-16-12-23(28-30)31(25(32)24-27-13-17-33-24)22-10-14-29(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2
InChIKeyVXORUWRGDGGEDH-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.78
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 138585066) has the molecular formula C25H24FN5OS and a molecular weight of 461.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID138585066
Molecular FormulaC25H24FN5OS
Molecular Weight461.57 g/mol
Exact Mass461.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(c1nccs1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H24FN5OS/c26-20-6-8-21(9-7-20)30-16-12-23(28-30)31(25(32)24-27-13-17-33-24)22-10-14-29(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2
InChIKeyVXORUWRGDGGEDH-UHFFFAOYSA-N
XLogP4.78
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

1-(4-Benzylpiperazin-1-YL)-2-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)ethan-1-one
CID 9550766
(4-(4-Phenylphthalazin-1-yl)piperazin-1-yl)(thiazol-2-yl)methanone
CID 46890873
(2S)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73349343
(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353862
(2S)-3-(4-fluorophenyl)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353863
(2S)-3-phenyl-N-[3-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353866
2-phenyl-N-{1-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 24790806
US10577360, Example 1
CID 132010851
US10577360, Example 82
CID 132035905
US10577360, Example 119
CID 132036168
US10577360, Example 8
CID 138585171
(2S)-3-phenyl-1-(6-pyridin-4-yl-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 73355394

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide (CID 138585066) is N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide is O=C(c1nccs1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is VXORUWRGDGGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5OS/c26-20-6-8-21(9-7-20)30-16-12-23(28-30)31(25(32)24-27-13-17-33-24)22-10-14-29(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 138585066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).