N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C10H15F3N2S — CID 62402519

IUPACN-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C10H15F3N2S/c1-6(2)14-5-8-7(3)15-9(16-8)4-10(11,12)13/h6,14H,4-5H2,1-3H3
InChIKeyRIMDKSAWMUZXGK-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.05
Rot. Bonds4

About N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62402519) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62402519
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC NameN-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(CC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C10H15F3N2S/c1-6(2)14-5-8-7(3)15-9(16-8)4-10(11,12)13/h6,14H,4-5H2,1-3H3
InChIKeyRIMDKSAWMUZXGK-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62402519) is N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(CC(F)(F)F)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is RIMDKSAWMUZXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(2)14-5-8-7(3)15-9(16-8)4-10(11,12)13/h6,14H,4-5H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 252.30 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 N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62402519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).