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

C16H28N4S — CID 43625709

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1cn2c(CNCCN(C(C)C)C(C)C)c(C)nc2s1
InChIInChI=1S/C16H28N4S/c1-11(2)19(12(3)4)8-7-17-9-15-14(6)18-16-20(15)10-13(5)21-16/h10-12,17H,7-9H2,1-6H3
InChIKeyWQUVJNCBNUXUHH-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.22
Rot. Bonds7

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

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43625709) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43625709
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1cn2c(CNCCN(C(C)C)C(C)C)c(C)nc2s1
InChIInChI=1S/C16H28N4S/c1-11(2)19(12(3)4)8-7-17-9-15-14(6)18-16-20(15)10-13(5)21-16/h10-12,17H,7-9H2,1-6H3
InChIKeyWQUVJNCBNUXUHH-UHFFFAOYSA-N
XLogP3.22
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.22
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-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43625709) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is Cc1cn2c(CNCCN(C(C)C)C(C)C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is WQUVJNCBNUXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-11(2)19(12(3)4)8-7-17-9-15-14(6)18-16-20(15)10-13(5)21-16/h10-12,17H,7-9H2,1-6H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 308.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43625709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).