2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C21H24N4OS — CID 53010641

IUPAC2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOCCCNc1c(-c2ccc(N(C)C)cc2)nc2sc3ccccc3n12
InChIInChI=1S/C21H24N4OS/c1-24(2)16-11-9-15(10-12-16)19-20(22-13-6-14-26-3)25-17-7-4-5-8-18(17)27-21(25)23-19/h4-5,7-12,22H,6,13-14H2,1-3H3
InChIKeySBYGOVHOINPZAI-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.73
Rot. Bonds7

About 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53010641) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53010641
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOCCCNc1c(-c2ccc(N(C)C)cc2)nc2sc3ccccc3n12
InChIInChI=1S/C21H24N4OS/c1-24(2)16-11-9-15(10-12-16)19-20(22-13-6-14-26-3)25-17-7-4-5-8-18(17)27-21(25)23-19/h4-5,7-12,22H,6,13-14H2,1-3H3
InChIKeySBYGOVHOINPZAI-UHFFFAOYSA-N
XLogP4.73
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53010641) is 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is COCCCNc1c(-c2ccc(N(C)C)cc2)nc2sc3ccccc3n12.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is SBYGOVHOINPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-24(2)16-11-9-15(10-12-16)19-20(22-13-6-14-26-3)25-17-7-4-5-8-18(17)27-21(25)23-19/h4-5,7-12,22H,6,13-14H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 380.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53010641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).