N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C15H26N4S — CID 43758883

IUPACN'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCc1nc2scc(C)n2c1CNCC(C)(C)CN(C)C
InChIInChI=1S/C15H26N4S/c1-11-8-20-14-17-12(2)13(19(11)14)7-16-9-15(3,4)10-18(5)6/h8,16H,7,9-10H2,1-6H3
InChIKeyJWRJVOBGGHISRE-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.69
Rot. Bonds6

About N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43758883) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43758883
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCc1nc2scc(C)n2c1CNCC(C)(C)CN(C)C
InChIInChI=1S/C15H26N4S/c1-11-8-20-14-17-12(2)13(19(11)14)7-16-9-15(3,4)10-18(5)6/h8,16H,7,9-10H2,1-6H3
InChIKeyJWRJVOBGGHISRE-UHFFFAOYSA-N
XLogP2.69
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.69
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]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43758883) is N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is Cc1nc2scc(C)n2c1CNCC(C)(C)CN(C)C.
What is the InChIKey of N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is JWRJVOBGGHISRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-11-8-20-14-17-12(2)13(19(11)14)7-16-9-15(3,4)10-18(5)6/h8,16H,7,9-10H2,1-6H3.
What are the key properties of N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 294.47 g/mol, XLogP of 2.69, 6 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]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43758883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).