N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide

C15H14ClN5O2S2 — CID 68822526

IUPACN-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide
SMILESNCCc1c[nH]c2ccc(NS(=O)(=O)c3csc4nc(Cl)cn34)cc12
InChIInChI=1S/C15H14ClN5O2S2/c16-13-7-21-14(8-24-15(21)19-13)25(22,23)20-10-1-2-12-11(5-10)9(3-4-17)6-18-12/h1-2,5-8,18,20H,3-4,17H2
InChIKeyOHORWLAKPSGNOM-UHFFFAOYSA-N
MW395.90 g/mol
LogP2.83
Rot. Bonds5

About N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide

N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide (PubChem CID 68822526) has the molecular formula C15H14ClN5O2S2 and a molecular weight of 395.90 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide
PubChem CID68822526
Molecular FormulaC15H14ClN5O2S2
Molecular Weight395.90 g/mol
Exact Mass395.03
IUPAC NameN-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide
SMILESNCCc1c[nH]c2ccc(NS(=O)(=O)c3csc4nc(Cl)cn34)cc12
InChIInChI=1S/C15H14ClN5O2S2/c16-13-7-21-14(8-24-15(21)19-13)25(22,23)20-10-1-2-12-11(5-10)9(3-4-17)6-18-12/h1-2,5-8,18,20H,3-4,17H2
InChIKeyOHORWLAKPSGNOM-UHFFFAOYSA-N
XLogP2.83
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
CID 71186806
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
1-[3-(2-aminoethyl)-1H-indol-5-yl]-3-methylurea;naphthalene-2-sulfonic acid;hydrate
CID 21276195
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide?
The IUPAC name of N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide (CID 68822526) is N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide?
The canonical SMILES for N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide is NCCc1c[nH]c2ccc(NS(=O)(=O)c3csc4nc(Cl)cn34)cc12.
What is the InChIKey of N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide?
The InChIKey is OHORWLAKPSGNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S2/c16-13-7-21-14(8-24-15(21)19-13)25(22,23)20-10-1-2-12-11(5-10)9(3-4-17)6-18-12/h1-2,5-8,18,20H,3-4,17H2.
What are the key properties of N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide?
N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide has a molecular weight of 395.90 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)-1H-indol-5-yl]-6-chloroimidazo[2,1-b][1,3]thiazole-3-sulfonamide is sourced from PubChem (CID 68822526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).