N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C10H11F3N4S — CID 3244409

IUPACN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CNc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C10H11F3N4S/c1-6-3-7(2)17(16-6)5-14-9-15-8(4-18-9)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyKCEKBUJLKKSISN-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.04
Rot. Bonds3

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

N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 3244409) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID3244409
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)n(CNc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C10H11F3N4S/c1-6-3-7(2)17(16-6)5-14-9-15-8(4-18-9)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyKCEKBUJLKKSISN-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 3244409) is N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1cc(C)n(CNc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is KCEKBUJLKKSISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-6-3-7(2)17(16-6)5-14-9-15-8(4-18-9)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 276.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3244409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).