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

C12H17F3N4S — CID 60890452

IUPACN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCNCc1c(N(C)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C12H17F3N4S/c1-3-4-16-7-9-10(18(2)8-12(13,14)15)17-11-19(9)5-6-20-11/h5-6,16H,3-4,7-8H2,1-2H3
InChIKeyQEJOMOBVQRCCPE-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.89
Rot. Bonds6

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

N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 60890452) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID60890452
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC NameN-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCNCc1c(N(C)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C12H17F3N4S/c1-3-4-16-7-9-10(18(2)8-12(13,14)15)17-11-19(9)5-6-20-11/h5-6,16H,3-4,7-8H2,1-2H3
InChIKeyQEJOMOBVQRCCPE-UHFFFAOYSA-N
XLogP2.89
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 60890452) is N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCCNCc1c(N(C)CC(F)(F)F)nc2sccn12.
What is the InChIKey of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is QEJOMOBVQRCCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-3-4-16-7-9-10(18(2)8-12(13,14)15)17-11-19(9)5-6-20-11/h5-6,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 60890452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).