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

C9H13F3N2S — CID 106783466

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-2-3-4-6(13)7-5-14-8(15-7)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyJBWRHSDOHWPXHQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.35
Rot. Bonds4

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine (PubChem CID 106783466) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
PubChem CID106783466
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-2-3-4-6(13)7-5-14-8(15-7)9(10,11)12/h5-6H,2-4,13H2,1H3
InChIKeyJBWRHSDOHWPXHQ-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
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
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-(7,7,7-Trifluoroheptyl)-1,3-thiazole
CID 117719633
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 118297278
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine (CID 106783466) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine is CCCCC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
The InChIKey is JBWRHSDOHWPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-2-3-4-6(13)7-5-14-8(15-7)9(10,11)12/h5-6H,2-4,13H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 106783466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).