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

C10H15F3N2S — CID 106784075

IUPAC2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-9(2,3)15-5-4-7-6-14-8(16-7)10(11,12)13/h6,15H,4-5H2,1-3H3
InChIKeySVUKRUZMRMXLGC-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.09
Rot. Bonds3

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

2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine (PubChem CID 106784075) 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-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
PubChem CID106784075
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-9(2,3)15-5-4-7-6-14-8(16-7)10(11,12)13/h6,15H,4-5H2,1-3H3
InChIKeySVUKRUZMRMXLGC-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
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
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
5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine (CID 106784075) is 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine is CC(C)(C)NCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is SVUKRUZMRMXLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-9(2,3)15-5-4-7-6-14-8(16-7)10(11,12)13/h6,15H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 252.30 g/mol, XLogP of 3.09, 3 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-2-amine is sourced from PubChem (CID 106784075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).