2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine

C16H16ClN5O2S2 — CID 45484333

IUPAC2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21
InChIInChI=1S/C16H16ClN5O2S2/c1-20(2)6-7-21-10-12(11-4-3-5-18-14(11)21)26(23,24)15-13(17)19-16-22(15)8-9-25-16/h3-5,8-10H,6-7H2,1-2H3
InChIKeyKMZGKMVOTSNHID-UHFFFAOYSA-N
MW409.92 g/mol
LogP2.79
Rot. Bonds5

About 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine

2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 45484333) has the molecular formula C16H16ClN5O2S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID45484333
Molecular FormulaC16H16ClN5O2S2
Molecular Weight409.92 g/mol
Exact Mass409.04
IUPAC Name2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21
InChIInChI=1S/C16H16ClN5O2S2/c1-20(2)6-7-21-10-12(11-4-3-5-18-14(11)21)26(23,24)15-13(17)19-16-22(15)8-9-25-16/h3-5,8-10H,6-7H2,1-2H3
InChIKeyKMZGKMVOTSNHID-UHFFFAOYSA-N
XLogP2.79
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
6-Chloro-5-(1-piperidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 9979611
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433193
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433194
3-(5-chloro-thiophene-2-sulfonyl)-1-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 44435625
2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N-methylethanamine
CID 45484340
6-Chloro-5-[1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 52945783
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 52946845
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 52946846
6-Chloro-5-[1-(1-methylpiperidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 10320800
6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1-(2-dimethylamino-ethyl)-1H-indol-5-yl]-amide
CID 11154465
6-chloro-N-(1-(2-(dimethylamino)ethyl)-2-methyl-1H-indol-5-yl)imidazo[2,1-b]thiazole-5-sulfonamide
CID 11259180

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 45484333) is 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21.
What is the InChIKey of 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is KMZGKMVOTSNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S2/c1-20(2)6-7-21-10-12(11-4-3-5-18-14(11)21)26(23,24)15-13(17)19-16-22(15)8-9-25-16/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 409.92 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 45484333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).