1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C16H18N4S — CID 105164424

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2nc(-c3ccccc3)cs2)n(C)n1
InChIInChI=1S/C16H18N4S/c1-11-8-15(20(2)19-11)13(17)9-16-18-14(10-21-16)12-6-4-3-5-7-12/h3-8,10,13H,9,17H2,1-2H3
InChIKeyXJNMLLPVZWVLNB-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105164424) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105164424
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cc(C(N)Cc2nc(-c3ccccc3)cs2)n(C)n1
InChIInChI=1S/C16H18N4S/c1-11-8-15(20(2)19-11)13(17)9-16-18-14(10-21-16)12-6-4-3-5-7-12/h3-8,10,13H,9,17H2,1-2H3
InChIKeyXJNMLLPVZWVLNB-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-3-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164429
2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105116784
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)ethanamine
CID 105091850
1-(5-bromothiophen-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164416
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79820051
1-(3-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79828189
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 105164424) is 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is Cc1cc(C(N)Cc2nc(-c3ccccc3)cs2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XJNMLLPVZWVLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-8-15(20(2)19-11)13(17)9-16-18-14(10-21-16)12-6-4-3-5-7-12/h3-8,10,13H,9,17H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105164424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).