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

C12H20N4S — CID 43754796

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc2scc(C)n2c1CNCCN(C)C
InChIInChI=1S/C12H20N4S/c1-9-8-17-12-14-10(2)11(16(9)12)7-13-5-6-15(3)4/h8,13H,5-7H2,1-4H3
InChIKeyQKBLLIIWQLPIMM-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.66
Rot. Bonds5

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 43754796) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID43754796
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc2scc(C)n2c1CNCCN(C)C
InChIInChI=1S/C12H20N4S/c1-9-8-17-12-14-10(2)11(16(9)12)7-13-5-6-15(3)4/h8,13H,5-7H2,1-4H3
InChIKeyQKBLLIIWQLPIMM-UHFFFAOYSA-N
XLogP1.66
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.66
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-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 43754796) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine is Cc1nc2scc(C)n2c1CNCCN(C)C.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QKBLLIIWQLPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-8-17-12-14-10(2)11(16(9)12)7-13-5-6-15(3)4/h8,13H,5-7H2,1-4H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 252.39 g/mol, XLogP of 1.66, 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]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43754796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).