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

C15H16N4S — CID 115879315

IUPACN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCc1ccc(-c2ccn[nH]2)cc1)c1cscn1
InChIInChI=1S/C15H16N4S/c1-11(15-9-20-10-17-15)16-8-12-2-4-13(5-3-12)14-6-7-18-19-14/h2-7,9-11,16H,8H2,1H3,(H,18,19)
InChIKeyQJLWXPVUJVSWHJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.38
Rot. Bonds5

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

N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879315) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879315
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCc1ccc(-c2ccn[nH]2)cc1)c1cscn1
InChIInChI=1S/C15H16N4S/c1-11(15-9-20-10-17-15)16-8-12-2-4-13(5-3-12)14-6-7-18-19-14/h2-7,9-11,16H,8H2,1H3,(H,18,19)
InChIKeyQJLWXPVUJVSWHJ-UHFFFAOYSA-N
XLogP3.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879113
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-[(6-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879051
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
N-(cyclopenta-1,4-dien-1-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 91928159
1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
CID 64629153
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115879082
N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
CID 114810007
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115895297
1-(1,3-thiazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115878914

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 115879315) is N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCc1ccc(-c2ccn[nH]2)cc1)c1cscn1.
What is the InChIKey of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is QJLWXPVUJVSWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11(15-9-20-10-17-15)16-8-12-2-4-13(5-3-12)14-6-7-18-19-14/h2-7,9-11,16H,8H2,1H3,(H,18,19).
What are the key properties of N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 284.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).