5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C9H12F3N3S — CID 62750348

IUPAC5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESNCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)5-15(6-1-2-6)8-14-4-7(3-13)16-8/h4,6H,1-3,5,13H2
InChIKeyMGRSMPXALSSPQJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.13
Rot. Bonds4

About 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62750348) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62750348
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESNCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)5-15(6-1-2-6)8-14-4-7(3-13)16-8/h4,6H,1-3,5,13H2
InChIKeyMGRSMPXALSSPQJ-UHFFFAOYSA-N
XLogP2.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62750348) is 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is NCc1cnc(N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is MGRSMPXALSSPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)5-15(6-1-2-6)8-14-4-7(3-13)16-8/h4,6H,1-3,5,13H2.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).