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

C11H17F3N2S — CID 71868855

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
SMILESCc1nc(C(C)(C)NCCC(F)(F)F)sc1C
InChIInChI=1S/C11H17F3N2S/c1-7-8(2)17-9(16-7)10(3,4)15-6-5-11(12,13)14/h15H,5-6H2,1-4H3
InChIKeyBMHRAXWOZUHYGZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.54
Rot. Bonds4

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine (PubChem CID 71868855) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
PubChem CID71868855
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
SMILESCc1nc(C(C)(C)NCCC(F)(F)F)sc1C
InChIInChI=1S/C11H17F3N2S/c1-7-8(2)17-9(16-7)10(3,4)15-6-5-11(12,13)14/h15H,5-6H2,1-4H3
InChIKeyBMHRAXWOZUHYGZ-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine (CID 71868855) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine is Cc1nc(C(C)(C)NCCC(F)(F)F)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is BMHRAXWOZUHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-7-8(2)17-9(16-7)10(3,4)15-6-5-11(12,13)14/h15H,5-6H2,1-4H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 71868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).