5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C11H16F3N3S — CID 62768021

IUPAC5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC(F)(F)F)C2CC2)sc1CN
InChIInChI=1S/C11H16F3N3S/c1-2-8-9(5-15)18-10(16-8)17(7-3-4-7)6-11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyCKVUFELJDIKZNQ-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.70
Rot. Bonds5

About 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768021) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768021
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC(F)(F)F)C2CC2)sc1CN
InChIInChI=1S/C11H16F3N3S/c1-2-8-9(5-15)18-10(16-8)17(7-3-4-7)6-11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyCKVUFELJDIKZNQ-UHFFFAOYSA-N
XLogP2.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.70
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-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768021) is 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCc1nc(N(CC(F)(F)F)C2CC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is CKVUFELJDIKZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-2-8-9(5-15)18-10(16-8)17(7-3-4-7)6-11(12,13)14/h7H,2-6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).