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

C15H16N4S — CID 61332623

IUPACN-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cnn(-c2ccccc2)c1)c1nccs1
InChIInChI=1S/C15H16N4S/c1-2-16-14(15-17-8-9-20-15)12-10-18-19(11-12)13-6-4-3-5-7-13/h3-11,14,16H,2H2,1H3
InChIKeyKKLRXQNACFWTON-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.03
Rot. Bonds5

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

N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61332623) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61332623
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cnn(-c2ccccc2)c1)c1nccs1
InChIInChI=1S/C15H16N4S/c1-2-16-14(15-17-8-9-20-15)12-10-18-19(11-12)13-6-4-3-5-7-13/h3-11,14,16H,2H2,1H3
InChIKeyKKLRXQNACFWTON-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169186
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332232
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485986
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 66135354
N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 79979986
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497367
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 61332623) is N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1cnn(-c2ccccc2)c1)c1nccs1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is KKLRXQNACFWTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-16-14(15-17-8-9-20-15)12-10-18-19(11-12)13-6-4-3-5-7-13/h3-11,14,16H,2H2,1H3.
What are the key properties of N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 3.03, 5 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)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61332623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).