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

C10H15F3N2S — CID 106784076

IUPAC2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-7(2)5-14-4-3-8-6-15-9(16-8)10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyHTSRLVKFUKCRFR-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.95
Rot. Bonds5

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

2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106784076) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106784076
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-7(2)5-14-4-3-8-6-15-9(16-8)10(11,12)13/h6-7,14H,3-5H2,1-2H3
InChIKeyHTSRLVKFUKCRFR-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
2-(2-Chloro-1,3-thiazol-5-yl)ethan-1-amine hydrochloride
CID 75481398
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-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106784076) is 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CC(C)CNCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is HTSRLVKFUKCRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7(2)5-14-4-3-8-6-15-9(16-8)10(11,12)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106784076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).