N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C14H24N4S — CID 103272301

IUPACN'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCc1csc2nccn12
InChIInChI=1S/C14H24N4S/c1-12(2)10-15-5-8-17(3)7-4-13-11-19-14-16-6-9-18(13)14/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3
InChIKeyCJGSJZBBVUATGW-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.12
Rot. Bonds8

About N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 103272301) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID103272301
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)CCc1csc2nccn12
InChIInChI=1S/C14H24N4S/c1-12(2)10-15-5-8-17(3)7-4-13-11-19-14-16-6-9-18(13)14/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3
InChIKeyCJGSJZBBVUATGW-UHFFFAOYSA-N
XLogP2.12
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.12
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-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 103272301) is N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)CCc1csc2nccn12.
What is the InChIKey of N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is CJGSJZBBVUATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-12(2)10-15-5-8-17(3)7-4-13-11-19-14-16-6-9-18(13)14/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3.
What are the key properties of N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 280.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-imidazo[2,1-b][1,3]thiazol-3-ylethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 103272301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).