3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine

C9H13F3N2S — CID 61337661

IUPAC3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2S/c1-3-8(13,4-2)7-14-6(5-15-7)9(10,11)12/h5H,3-4,13H2,1-2H3
InChIKeyMTEZQZZUZLFJSN-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.14
Rot. Bonds3

About 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine (PubChem CID 61337661) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine
PubChem CID61337661
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2S/c1-3-8(13,4-2)7-14-6(5-15-7)9(10,11)12/h5H,3-4,13H2,1-2H3
InChIKeyMTEZQZZUZLFJSN-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine (CID 61337661) is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine is CCC(N)(CC)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine?
The InChIKey is MTEZQZZUZLFJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-3-8(13,4-2)7-14-6(5-15-7)9(10,11)12/h5H,3-4,13H2,1-2H3.
What are the key properties of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine?
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine has a molecular weight of 238.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine is sourced from PubChem (CID 61337661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).