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

C10H11F3N4S — CID 100705287

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S/c1-6-7(5-17(2)16-6)3-14-9-15-4-8(18-9)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyPLNBJKIFSUTSAZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.82
Rot. Bonds3

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 100705287) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID100705287
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S/c1-6-7(5-17(2)16-6)3-14-9-15-4-8(18-9)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyPLNBJKIFSUTSAZ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 75505608
N-[(1-ethylpyrazol-4-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 75505668
5-fluoro-N-methyl-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58477505
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 168853617
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740
5-Methyl-4-[3-(trifluoromethyl)-1H-pyrazol-1-YL]-1,3-thiazol-2-amine
CID 19620894
1-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51097781
4-[3-(Fluoromethyl)-4-methylpyrazol-1-yl]-2-methyl-1,3-thiazole
CID 58621249
[5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764535
5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774176
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

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 100705287) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1nn(C)cc1CNc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is PLNBJKIFSUTSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-6-7(5-17(2)16-6)3-14-9-15-4-8(18-9)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 276.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 100705287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).