N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

C15H16N4S — CID 63829349

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1ccc(-n2cc(CNCCc3cscn3)cn2)cc1
InChIInChI=1S/C15H16N4S/c1-2-4-15(5-3-1)19-10-13(9-18-19)8-16-7-6-14-11-20-12-17-14/h1-5,9-12,16H,6-8H2
InChIKeyMDYKVEOWRKYMTM-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.66
Rot. Bonds6

About N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63829349) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63829349
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1ccc(-n2cc(CNCCc3cscn3)cn2)cc1
InChIInChI=1S/C15H16N4S/c1-2-4-15(5-3-1)19-10-13(9-18-19)8-16-7-6-14-11-20-12-17-14/h1-5,9-12,16H,6-8H2
InChIKeyMDYKVEOWRKYMTM-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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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Related Compounds

2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 75433632
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[(6-chloro-3-pyridinyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115683711
2-butoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 61169682
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103746202
3-methylsulfinyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 115711557

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63829349) is N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is c1ccc(-n2cc(CNCCc3cscn3)cn2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is MDYKVEOWRKYMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-4-15(5-3-1)19-10-13(9-18-19)8-16-7-6-14-11-20-12-17-14/h1-5,9-12,16H,6-8H2.
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63829349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).