(1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H11F3N4S — CID 106785270

IUPAC(1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nn(C)cc1C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S/c1-5-6(4-17(2)16-5)8(14)7-3-15-9(18-7)10(11,12)13/h3-4,8H,14H2,1-2H3
InChIKeyCXMZHETXBWOSLO-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.25
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785270) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785270
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nn(C)cc1C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S/c1-5-6(4-17(2)16-5)8(14)7-3-15-9(18-7)10(11,12)13/h3-4,8H,14H2,1-2H3
InChIKeyCXMZHETXBWOSLO-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785270) is (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is Cc1nn(C)cc1C(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CXMZHETXBWOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-5-6(4-17(2)16-5)8(14)7-3-15-9(18-7)10(11,12)13/h3-4,8H,14H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).