N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

C15H24N4S — CID 60856365

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCc2c(C)nc3scc(C)n23)C1
InChIInChI=1S/C15H24N4S/c1-4-18-6-5-13(9-18)7-16-8-14-12(3)17-15-19(14)11(2)10-20-15/h10,13,16H,4-9H2,1-3H3
InChIKeyDTDJHUVEQYQSHE-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.44
Rot. Bonds5

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (PubChem CID 60856365) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
PubChem CID60856365
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
SMILESCCN1CCC(CNCc2c(C)nc3scc(C)n23)C1
InChIInChI=1S/C15H24N4S/c1-4-18-6-5-13(9-18)7-16-8-14-12(3)17-15-19(14)11(2)10-20-15/h10,13,16H,4-9H2,1-3H3
InChIKeyDTDJHUVEQYQSHE-UHFFFAOYSA-N
XLogP2.44
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine (CID 60856365) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is CCN1CCC(CNCc2c(C)nc3scc(C)n23)C1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
The InChIKey is DTDJHUVEQYQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-18-6-5-13(9-18)7-16-8-14-12(3)17-15-19(14)11(2)10-20-15/h10,13,16H,4-9H2,1-3H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine has a molecular weight of 292.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 60856365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).