2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H13F3N2S — CID 114899410

IUPAC2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C9H13F3N2S/c1-7(4-8-14-2-3-15-8)5-13-6-9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeySSAKWWVFXUHJRQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 114899410) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID114899410
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1nccs1
InChIInChI=1S/C9H13F3N2S/c1-7(4-8-14-2-3-15-8)5-13-6-9(10,11)12/h2-3,7,13H,4-6H2,1H3
InChIKeySSAKWWVFXUHJRQ-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899378
2-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 61286207
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386183
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 114899410) is 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Cc1nccs1.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is SSAKWWVFXUHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-7(4-8-14-2-3-15-8)5-13-6-9(10,11)12/h2-3,7,13H,4-6H2,1H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 114899410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).