3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C7H9F3N2S — CID 106784135

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)6-12-4-5(13-6)2-1-3-11/h4H,1-3,11H2
InChIKeyHXOINHANOLNTTL-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.05
Rot. Bonds3

About 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106784135) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106784135
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c8-7(9,10)6-12-4-5(13-6)2-1-3-11/h4H,1-3,11H2
InChIKeyHXOINHANOLNTTL-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dipropylthiazole
CID 588151
Thiazole, 5-propyl-
CID 40379
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
2-Methyl-5-propylthiazole
CID 574547
Methyl(1-(1,3-thiazol-5-yl)propan-2-yl)amine
CID 112642809
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
2-(1,3-Thiazol-5-yl)ethan-1-amine
CID 28948322
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106784135) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is NCCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is HXOINHANOLNTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c8-7(9,10)6-12-4-5(13-6)2-1-3-11/h4H,1-3,11H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 210.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106784135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).