N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C24H28N4O2S — CID 22523813

IUPACN-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCN(CC)CC)ccc23)cc1
InChIInChI=1S/C24H28N4O2S/c1-4-27(5-2)14-13-25-23(29)18-9-12-21-22(15-18)31-24-26-20(16-28(21)24)17-7-10-19(11-8-17)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,29)
InChIKeyUUULPVOGUXDYMM-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.69
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523813) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523813
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCN(CC)CC)ccc23)cc1
InChIInChI=1S/C24H28N4O2S/c1-4-27(5-2)14-13-25-23(29)18-9-12-21-22(15-18)31-24-26-20(16-28(21)24)17-7-10-19(11-8-17)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,29)
InChIKeyUUULPVOGUXDYMM-UHFFFAOYSA-N
XLogP4.69
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523813) is N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCN(CC)CC)ccc23)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is UUULPVOGUXDYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-4-27(5-2)14-13-25-23(29)18-9-12-21-22(15-18)31-24-26-20(16-28(21)24)17-7-10-19(11-8-17)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).