(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine

C8H9FN4S — CID 168853617

IUPAC(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESC[C@H](N)c1cnc(-n2cc(F)cn2)s1
InChIInChI=1S/C8H9FN4S/c1-5(10)7-3-11-8(14-7)13-4-6(9)2-12-13/h2-5H,10H2,1H3/t5-/m0/s1
InChIKeyIOULPWVJVKYEPV-YFKPBYRVSA-N
MW212.25 g/mol
LogP1.49
Rot. Bonds2

About (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine

(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 168853617) has the molecular formula C8H9FN4S and a molecular weight of 212.25 g/mol. Its IUPAC name is (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID168853617
Molecular FormulaC8H9FN4S
Molecular Weight212.25 g/mol
Exact Mass212.05
IUPAC Name(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESC[C@H](N)c1cnc(-n2cc(F)cn2)s1
InChIInChI=1S/C8H9FN4S/c1-5(10)7-3-11-8(14-7)13-4-6(9)2-12-13/h2-5H,10H2,1H3/t5-/m0/s1
InChIKeyIOULPWVJVKYEPV-YFKPBYRVSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl({[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine
CID 130569346
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 168853536
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853566
[2-(4-Fluoropyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
CID 170039489
Tert-butyl-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylideneamino]-oxidosulfanium
CID 174090474
(R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 178465892
N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774268
N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774363
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774939
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79775029
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 100705287

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 168853617) is (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine is C[C@H](N)c1cnc(-n2cc(F)cn2)s1.
What is the InChIKey of (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is IOULPWVJVKYEPV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9FN4S/c1-5(10)7-3-11-8(14-7)13-4-6(9)2-12-13/h2-5H,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine?
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 212.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 168853617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).