N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine

C15H16N4S — CID 56824117

IUPACN-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESc1ccc(-c2ncc(CNCCn3cccn3)s2)cc1
InChIInChI=1S/C15H16N4S/c1-2-5-13(6-3-1)15-17-12-14(20-15)11-16-8-10-19-9-4-7-18-19/h1-7,9,12,16H,8,10-11H2
InChIKeyULSQSOVRKRFXAU-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.80
Rot. Bonds6

About N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 56824117) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID56824117
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESc1ccc(-c2ncc(CNCCn3cccn3)s2)cc1
InChIInChI=1S/C15H16N4S/c1-2-5-13(6-3-1)15-17-12-14(20-15)11-16-8-10-19-9-4-7-18-19/h1-7,9,12,16H,8,10-11H2
InChIKeyULSQSOVRKRFXAU-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine (CID 56824117) is N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine is c1ccc(-c2ncc(CNCCn3cccn3)s2)cc1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is ULSQSOVRKRFXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-5-13(6-3-1)15-17-12-14(20-15)11-16-8-10-19-9-4-7-18-19/h1-7,9,12,16H,8,10-11H2.
What are the key properties of N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 56824117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).