(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine

C13H13F3N2S — CID 55146785

IUPAC(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
SMILESCC(C)c1csc(C(N)c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H13F3N2S/c1-6(2)10-5-19-13(18-10)12(17)7-3-8(14)11(16)9(15)4-7/h3-6,12H,17H2,1-2H3
InChIKeyHIEVXNBSNLQKDK-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.73
Rot. Bonds3

About (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine

(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine (PubChem CID 55146785) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
PubChem CID55146785
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
SMILESCC(C)c1csc(C(N)c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H13F3N2S/c1-6(2)10-5-19-13(18-10)12(17)7-3-8(14)11(16)9(15)4-7/h3-6,12H,17H2,1-2H3
InChIKeyHIEVXNBSNLQKDK-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine (CID 55146785) is (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine is CC(C)c1csc(C(N)c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is HIEVXNBSNLQKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-6(2)10-5-19-13(18-10)12(17)7-3-8(14)11(16)9(15)4-7/h3-6,12H,17H2,1-2H3.
What are the key properties of (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine?
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 286.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 55146785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).