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

C11H13F3N4S — CID 79774363

IUPACN-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C11H13F3N4S/c1-2-4-15-10-16-6-8(19-10)7-18-5-3-9(17-18)11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,16)
InChIKeyQGDQBUFOPLHEFK-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.23
Rot. Bonds5

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

N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 79774363) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID79774363
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC NameN-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C11H13F3N4S/c1-2-4-15-10-16-6-8(19-10)7-18-5-3-9(17-18)11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,16)
InChIKeyQGDQBUFOPLHEFK-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-2-amine
CID 19616606
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
3-Trifluoromethyl-1-(2-thiazolyl)pyrazole
CID 122641792
N-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-2-thiazolamine
CID 565992
methyl({[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine
CID 130569346
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-amine
CID 102188654
4-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
(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
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 174731377

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 79774363) is N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is CCCNc1ncc(Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is QGDQBUFOPLHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-2-4-15-10-16-6-8(19-10)7-18-5-3-9(17-18)11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,16).
What are the key properties of N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 290.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).