2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide

C17H18FN5OS — CID 50958388

IUPAC2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H18FN5OS/c1-11(16(24)21-17-19-7-8-25-17)23(2)10-13-9-20-22-15(13)12-3-5-14(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,20,22)(H,19,21,24)
InChIKeyFXPNUHFRJQMUPJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.13
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide

2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50958388) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50958388
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H18FN5OS/c1-11(16(24)21-17-19-7-8-25-17)23(2)10-13-9-20-22-15(13)12-3-5-14(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,20,22)(H,19,21,24)
InChIKeyFXPNUHFRJQMUPJ-UHFFFAOYSA-N
XLogP3.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 50958388) is 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)N(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is FXPNUHFRJQMUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c1-11(16(24)21-17-19-7-8-25-17)23(2)10-13-9-20-22-15(13)12-3-5-14(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,20,22)(H,19,21,24).
What are the key properties of 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50958388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).