1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine

C8H10N4S — CID 130573356

IUPAC1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2cn[nH]c2)s1
InChIInChI=1S/C8H10N4S/c1-5(9)7-4-10-8(13-7)6-2-11-12-3-6/h2-5H,9H2,1H3,(H,11,12)
InChIKeyKJZDJJDGRIJWLH-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.55
Rot. Bonds2

About 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 130573356) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID130573356
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2cn[nH]c2)s1
InChIInChI=1S/C8H10N4S/c1-5(9)7-4-10-8(13-7)6-2-11-12-3-6/h2-5H,9H2,1H3,(H,11,12)
InChIKeyKJZDJJDGRIJWLH-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62652845
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66118508
1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
ethyl 2-[3-methyl-2-oxo-4-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]butyl]cyclohexene-1-carboxylate
CID 162271193
2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 20555356
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 107931868
2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 161017348
methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
CID 115017066

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 130573356) is 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(-c2cn[nH]c2)s1.
What is the InChIKey of 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KJZDJJDGRIJWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5(9)7-4-10-8(13-7)6-2-11-12-3-6/h2-5H,9H2,1H3,(H,11,12).
What are the key properties of 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 194.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 130573356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).