N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine

C10H13F3N2S — CID 75434559

IUPACN-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine
SMILESFC(F)(F)CN(Cc1nccs1)C1CCC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-15(8-2-1-3-8)6-9-14-4-5-16-9/h4-5,8H,1-3,6-7H2
InChIKeyHAXOPDMJSFHPFJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.06
Rot. Bonds4

About N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine

N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine (PubChem CID 75434559) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine
PubChem CID75434559
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine
SMILESFC(F)(F)CN(Cc1nccs1)C1CCC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)7-15(8-2-1-3-8)6-9-14-4-5-16-9/h4-5,8H,1-3,6-7H2
InChIKeyHAXOPDMJSFHPFJ-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine (CID 75434559) is N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine is FC(F)(F)CN(Cc1nccs1)C1CCC1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine?
The InChIKey is HAXOPDMJSFHPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)7-15(8-2-1-3-8)6-9-14-4-5-16-9/h4-5,8H,1-3,6-7H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine?
N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine has a molecular weight of 250.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclobutanamine is sourced from PubChem (CID 75434559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).