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

C10H11F3N4S — CID 106785429

IUPAC(1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1c(C(N)c2cnc(C(F)(F)F)s2)cnn1C
InChIInChI=1S/C10H11F3N4S/c1-5-6(3-16-17(5)2)8(14)7-4-15-9(18-7)10(11,12)13/h3-4,8H,14H2,1-2H3
InChIKeyXXRKVXATOTZZGS-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.25
Rot. Bonds2

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

(1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785429) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785429
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1c(C(N)c2cnc(C(F)(F)F)s2)cnn1C
InChIInChI=1S/C10H11F3N4S/c1-5-6(3-16-17(5)2)8(14)7-4-15-9(18-7)10(11,12)13/h3-4,8H,14H2,1-2H3
InChIKeyXXRKVXATOTZZGS-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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Related Compounds

(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 97108451
2-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole
CID 169162942
2-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3-thiazole
CID 169163264
5-(4-butan-2-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 169169585
5-Methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1,3-thiazole
CID 170133915
4-Bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole
CID 171763230
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 103029682
3-(1-Methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 103029784
3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 103030279
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 75475572
(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346769
(7S)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346770

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785429) is (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is Cc1c(C(N)c2cnc(C(F)(F)F)s2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is XXRKVXATOTZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-5-6(3-16-17(5)2)8(14)7-4-15-9(18-7)10(11,12)13/h3-4,8H,14H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(1,5-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 (1,5-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).