5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

C8H7F3N4S — CID 86662683

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N)s1
InChIInChI=1S/C8H7F3N4S/c1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyYVVUUQSXTJLLNK-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.14
Rot. Bonds1

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 86662683) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
PubChem CID86662683
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N)s1
InChIInChI=1S/C8H7F3N4S/c1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyYVVUUQSXTJLLNK-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,5-Dimethyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485377
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485390
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485391
4-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485376
2-(5-Thiophen-2-yl-3-trifluoromethyl-pyrazol-1-yl)-thiazole
CID 129828104
4-methyl-5-(1-methyl-1H-pyrazol-3-yl)-N-(2,3,6-trifluorobenzyl)-1,3-thiazol-2-amine
CID 26343224
5-[1-(2-methoxyethyl)-1H-pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 118758993
4-methyl-5-[1-(1-methyl-4-piperidinyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-amine bis(trifluoroacetate)
CID 118759330
4-methyl-5-[1-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-amine
CID 118759605
5-[1-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 118760002
2-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl]ethanol
CID 118760141
4-methyl-5-(1-methylpyrazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 126464883

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (CID 86662683) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is Cn1nc(C(F)(F)F)cc1-c1cnc(N)s1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is YVVUUQSXTJLLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-15-4(5-3-13-7(12)16-5)2-6(14-15)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86662683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).