1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C21H20N4S — CID 46997406

IUPAC1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc(-n3cccn3)cc2)Cc2nccs2)cc1
InChIInChI=1S/C21H20N4S/c1-2-5-18(6-3-1)15-24(17-21-22-12-14-26-21)16-19-7-9-20(10-8-19)25-13-4-11-23-25/h1-14H,15-17H2
InChIKeySLKRLJZGWSUYBT-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.53
Rot. Bonds7

About 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 46997406) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID46997406
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc(-n3cccn3)cc2)Cc2nccs2)cc1
InChIInChI=1S/C21H20N4S/c1-2-5-18(6-3-1)15-24(17-21-22-12-14-26-21)16-19-7-9-20(10-8-19)25-13-4-11-23-25/h1-14H,15-17H2
InChIKeySLKRLJZGWSUYBT-UHFFFAOYSA-N
XLogP4.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 46997406) is 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccc(-n3cccn3)cc2)Cc2nccs2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is SLKRLJZGWSUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-2-5-18(6-3-1)15-24(17-21-22-12-14-26-21)16-19-7-9-20(10-8-19)25-13-4-11-23-25/h1-14H,15-17H2.
What are the key properties of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 360.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 46997406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).