N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C24H27FN6OS2 — CID 123906017

IUPACN-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC1CCCN(c2c(F)cccc2NC(=O)c2csc(-c3cnn(CC4CCC=CS4)c3)n2)C1
InChIInChI=1S/C24H27FN6OS2/c25-19-7-3-8-20(22(19)30-9-4-5-17(26)13-30)28-23(32)21-15-34-24(29-21)16-11-27-31(12-16)14-18-6-1-2-10-33-18/h2-3,7-8,10-12,15,17-18H,1,4-6,9,13-14,26H2,(H,28,32)
InChIKeyOJRZEEHGXSEJKQ-UHFFFAOYSA-N
MW498.65 g/mol
LogP4.73
Rot. Bonds6

About N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 123906017) has the molecular formula C24H27FN6OS2 and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID123906017
Molecular FormulaC24H27FN6OS2
Molecular Weight498.65 g/mol
Exact Mass498.17
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESNC1CCCN(c2c(F)cccc2NC(=O)c2csc(-c3cnn(CC4CCC=CS4)c3)n2)C1
InChIInChI=1S/C24H27FN6OS2/c25-19-7-3-8-20(22(19)30-9-4-5-17(26)13-30)28-23(32)21-15-34-24(29-21)16-11-27-31(12-16)14-18-6-1-2-10-33-18/h2-3,7-8,10-12,15,17-18H,1,4-6,9,13-14,26H2,(H,28,32)
InChIKeyOJRZEEHGXSEJKQ-UHFFFAOYSA-N
XLogP4.73
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-pyrrole-2-carboxamide
CID 159923854
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide
CID 54755403
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098465
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
tert-butyl 3-[(3S)-1-[3-(2,6-difluorophenoxy)-2-methyl-6-[(2-pyridazin-4-yl-1,3-thiazole-4-carbonyl)amino]phenyl]piperidin-3-yl]propanoate
CID 167658285
N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 67514837
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967453
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967895
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide
CID 54755655
N-[2-[(3S)-3-(aminomethyl)piperidin-1-yl]-4-cyclopentyloxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
CID 167171103
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 147999209

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 123906017) is N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is NC1CCCN(c2c(F)cccc2NC(=O)c2csc(-c3cnn(CC4CCC=CS4)c3)n2)C1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OJRZEEHGXSEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6OS2/c25-19-7-3-8-20(22(19)30-9-4-5-17(26)13-30)28-23(32)21-15-34-24(29-21)16-11-27-31(12-16)14-18-6-1-2-10-33-18/h2-3,7-8,10-12,15,17-18H,1,4-6,9,13-14,26H2,(H,28,32).
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123906017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).