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

C12H17F3N4S — CID 63794666

IUPAC5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(N)Cc1c(N(C)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C12H17F3N4S/c1-3-8(16)6-9-10(18(2)7-12(13,14)15)17-11-19(9)4-5-20-11/h4-5,8H,3,6-7,16H2,1-2H3
InChIKeyOKLRVXLBRZTRRF-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.67
Rot. Bonds5

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

5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63794666) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63794666
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC Name5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(N)Cc1c(N(C)CC(F)(F)F)nc2sccn12
InChIInChI=1S/C12H17F3N4S/c1-3-8(16)6-9-10(18(2)7-12(13,14)15)17-11-19(9)4-5-20-11/h4-5,8H,3,6-7,16H2,1-2H3
InChIKeyOKLRVXLBRZTRRF-UHFFFAOYSA-N
XLogP2.67
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 63794666) is 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCC(N)Cc1c(N(C)CC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is OKLRVXLBRZTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-3-8(16)6-9-10(18(2)7-12(13,14)15)17-11-19(9)4-5-20-11/h4-5,8H,3,6-7,16H2,1-2H3.
What are the key properties of 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminobutyl)-N-methyl-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 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63794666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).