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

C10H15F3N2S — CID 63226149

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1nc(C(C)NCCC(F)(F)F)c(C)s1
InChIInChI=1S/C10H15F3N2S/c1-6(14-5-4-10(11,12)13)9-7(2)16-8(3)15-9/h6,14H,4-5H2,1-3H3
InChIKeyAQXPHTMNQDPGLL-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.36
Rot. Bonds4

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63226149) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63226149
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1nc(C(C)NCCC(F)(F)F)c(C)s1
InChIInChI=1S/C10H15F3N2S/c1-6(14-5-4-10(11,12)13)9-7(2)16-8(3)15-9/h6,14H,4-5H2,1-3H3
InChIKeyAQXPHTMNQDPGLL-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 63226149) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine is Cc1nc(C(C)NCCC(F)(F)F)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is AQXPHTMNQDPGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(14-5-4-10(11,12)13)9-7(2)16-8(3)15-9/h6,14H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).