N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine

C13H22N4S — CID 43761768

IUPACN',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1c(C)nc2sccn12
InChIInChI=1S/C13H22N4S/c1-4-16(5-2)7-6-14-10-12-11(3)15-13-17(12)8-9-18-13/h8-9,14H,4-7,10H2,1-3H3
InChIKeyPLMQOOHPZPENTH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.14
Rot. Bonds7

About N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 43761768) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID43761768
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1c(C)nc2sccn12
InChIInChI=1S/C13H22N4S/c1-4-16(5-2)7-6-14-10-12-11(3)15-13-17(12)8-9-18-13/h8-9,14H,4-7,10H2,1-3H3
InChIKeyPLMQOOHPZPENTH-UHFFFAOYSA-N
XLogP2.14
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.14
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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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61460056
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280
methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
CID 54920768
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
N-[(1-ethylcyclopropyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735584
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine (CID 43761768) is N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1c(C)nc2sccn12.
What is the InChIKey of N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is PLMQOOHPZPENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-16(5-2)7-6-14-10-12-11(3)15-13-17(12)8-9-18-13/h8-9,14H,4-7,10H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 43761768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).