(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H13F3N2S — CID 97353370

IUPAC(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC[C@H](NCC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C9H13F3N2S/c1-3-7(13-5-9(10,11)12)8-14-6(2)4-15-8/h4,7,13H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyKQTREUPEDZAMIB-ZETCQYMHSA-N
MW238.28 g/mol
LogP3.05
Rot. Bonds4

About (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 97353370) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID97353370
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC[C@H](NCC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C9H13F3N2S/c1-3-7(13-5-9(10,11)12)8-14-6(2)4-15-8/h4,7,13H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyKQTREUPEDZAMIB-ZETCQYMHSA-N
XLogP3.05
TPSA24.92 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 97353370) is (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC[C@H](NCC(F)(F)F)c1nc(C)cs1.
What is the InChIKey of (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is KQTREUPEDZAMIB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-3-7(13-5-9(10,11)12)8-14-6(2)4-15-8/h4,7,13H,3,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 97353370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).