1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine

C11H16N4S — CID 103572818

IUPAC1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCCn1cc(-c2nc(C(C)N)cs2)cn1
InChIInChI=1S/C11H16N4S/c1-3-4-15-6-9(5-13-15)11-14-10(7-16-11)8(2)12/h5-8H,3-4,12H2,1-2H3
InChIKeyFVVKYZQTGXQUSO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 103572818) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID103572818
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCCn1cc(-c2nc(C(C)N)cs2)cn1
InChIInChI=1S/C11H16N4S/c1-3-4-15-6-9(5-13-15)11-14-10(7-16-11)8(2)12/h5-8H,3-4,12H2,1-2H3
InChIKeyFVVKYZQTGXQUSO-UHFFFAOYSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butan-2-yl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 112697822
[2-(1-hexylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 97178772
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
1-[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 130598698
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
CID 103570317
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
N-(2-methylpropyl)-5-(1-propylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 103573799
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62798450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine (CID 103572818) is 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine is CCCn1cc(-c2nc(C(C)N)cs2)cn1.
What is the InChIKey of 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FVVKYZQTGXQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-4-15-6-9(5-13-15)11-14-10(7-16-11)8(2)12/h5-8H,3-4,12H2,1-2H3.
What are the key properties of 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 103572818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).