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

C17H19FN4S — CID 70738731

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4S/c1-12-16(23-11-19-12)7-8-22(2)10-14-9-20-21-17(14)13-3-5-15(18)6-4-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
InChIKeySPBASSVIWXIUPW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.66
Rot. Bonds6

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

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 70738731) has the molecular formula C17H19FN4S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID70738731
Molecular FormulaC17H19FN4S
Molecular Weight330.43 g/mol
Exact Mass330.13
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4S/c1-12-16(23-11-19-12)7-8-22(2)10-14-9-20-21-17(14)13-3-5-15(18)6-4-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
InChIKeySPBASSVIWXIUPW-UHFFFAOYSA-N
XLogP3.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 70738731) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is SPBASSVIWXIUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4S/c1-12-16(23-11-19-12)7-8-22(2)10-14-9-20-21-17(14)13-3-5-15(18)6-4-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 330.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 70738731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).