5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C17H20Cl2N4OS2 — CID 145044071

IUPAC5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCCN(CC)CCCSNC(=O)c1cn2c(n1)sc1c(Cl)c(Cl)ccc12
InChIInChI=1S/C17H20Cl2N4OS2/c1-3-22(4-2)8-5-9-25-21-16(24)12-10-23-13-7-6-11(18)14(19)15(13)26-17(23)20-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyGTGAQZFBUBNMKD-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.97
Rot. Bonds8

About 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 145044071) has the molecular formula C17H20Cl2N4OS2 and a molecular weight of 431.41 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID145044071
Molecular FormulaC17H20Cl2N4OS2
Molecular Weight431.41 g/mol
Exact Mass430.05
IUPAC Name5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCCN(CC)CCCSNC(=O)c1cn2c(n1)sc1c(Cl)c(Cl)ccc12
InChIInChI=1S/C17H20Cl2N4OS2/c1-3-22(4-2)8-5-9-25-21-16(24)12-10-23-13-7-6-11(18)14(19)15(13)26-17(23)20-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeyGTGAQZFBUBNMKD-UHFFFAOYSA-N
XLogP4.97
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,6-dichloroimidazo[2,1-b][1,3]benzothiazol-2-yl)-2-[3-(diethylamino)propylsulfonyl]ethanone
CID 158873465
N-[3-(diethylamino)propyl]-2-(3-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571962
N-[3-(diethylamino)propyl]-2-morpholin-4-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571942
N-[3-(diethylamino)propyl]-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039411
4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide
CID 167633099
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
N-[3-(diethylamino)propyl]-2-[4-(oxan-4-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571921
5-(diethylamino)-1-[2-(3-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167554280
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
5-(diethylamino)-1-[2-[4-[(1R)-2,2,2-trifluoro-1-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167676080

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 145044071) is 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is CCN(CC)CCCSNC(=O)c1cn2c(n1)sc1c(Cl)c(Cl)ccc12.
What is the InChIKey of 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is GTGAQZFBUBNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4OS2/c1-3-22(4-2)8-5-9-25-21-16(24)12-10-23-13-7-6-11(18)14(19)15(13)26-17(23)20-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,24).
What are the key properties of 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-(diethylamino)propylsulfanyl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 145044071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).