5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C13H17F3N4S — CID 63795427

IUPAC5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(N)Cc1c(N(CC(F)(F)F)C2CC2)nc2sccn12
InChIInChI=1S/C13H17F3N4S/c1-8(17)6-10-11(18-12-19(10)4-5-21-12)20(9-2-3-9)7-13(14,15)16/h4-5,8-9H,2-3,6-7,17H2,1H3
InChIKeyWMSHWJXRENNRHZ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.82
Rot. Bonds5

About 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63795427) has the molecular formula C13H17F3N4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63795427
Molecular FormulaC13H17F3N4S
Molecular Weight318.37 g/mol
Exact Mass318.11
IUPAC Name5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCC(N)Cc1c(N(CC(F)(F)F)C2CC2)nc2sccn12
InChIInChI=1S/C13H17F3N4S/c1-8(17)6-10-11(18-12-19(10)4-5-21-12)20(9-2-3-9)7-13(14,15)16/h4-5,8-9H,2-3,6-7,17H2,1H3
InChIKeyWMSHWJXRENNRHZ-UHFFFAOYSA-N
XLogP2.82
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 63795427) is 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CC(N)Cc1c(N(CC(F)(F)F)C2CC2)nc2sccn12.
What is the InChIKey of 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is WMSHWJXRENNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4S/c1-8(17)6-10-11(18-12-19(10)4-5-21-12)20(9-2-3-9)7-13(14,15)16/h4-5,8-9H,2-3,6-7,17H2,1H3.
What are the key properties of 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 318.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).