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

C12H18F3N3S — CID 55112447

IUPAC5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(CNC2CC2)s1
InChIInChI=1S/C12H18F3N3S/c1-8(2)18(7-12(13,14)15)11-17-6-10(19-11)5-16-9-3-4-9/h6,8-9,16H,3-5,7H2,1-2H3
InChIKeyHUXPFUCQUXSDHJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.17
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55112447) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55112447
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(CNC2CC2)s1
InChIInChI=1S/C12H18F3N3S/c1-8(2)18(7-12(13,14)15)11-17-6-10(19-11)5-16-9-3-4-9/h6,8-9,16H,3-5,7H2,1-2H3
InChIKeyHUXPFUCQUXSDHJ-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55112447) is 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)N(CC(F)(F)F)c1ncc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is HUXPFUCQUXSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-8(2)18(7-12(13,14)15)11-17-6-10(19-11)5-16-9-3-4-9/h6,8-9,16H,3-5,7H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55112447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).