N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine

C16H18N4S — CID 105169186

IUPACN-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H18N4S/c1-2-17-15(10-16-18-8-9-21-16)13-11-19-20(12-13)14-6-4-3-5-7-14/h3-9,11-12,15,17H,2,10H2,1H3
InChIKeyNFSLDUKPCTUGGF-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105169186) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105169186
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H18N4S/c1-2-17-15(10-16-18-8-9-21-16)13-11-19-20(12-13)14-6-4-3-5-7-14/h3-9,11-12,15,17H,2,10H2,1H3
InChIKeyNFSLDUKPCTUGGF-UHFFFAOYSA-N
XLogP3.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332623
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-methyl-1-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824383
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
CID 43497373
1-(1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379955
[2-(1-methylimidazol-2-yl)-1-(1-phenylpyrazol-4-yl)ethyl]hydrazine
CID 105322893

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105169186) is N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is NFSLDUKPCTUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-17-15(10-16-18-8-9-21-16)13-11-19-20(12-13)14-6-4-3-5-7-14/h3-9,11-12,15,17H,2,10H2,1H3.
What are the key properties of N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 298.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105169186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).