6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C17H18ClN5O2S2 — CID 44544995

IUPAC6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCc2c([nH]c3ccc(NS(=O)(=O)c4c(Cl)nc5n4CCS5)cc23)C1
InChIInChI=1S/C17H18ClN5O2S2/c1-22-5-4-11-12-8-10(2-3-13(12)19-14(11)9-22)21-27(24,25)16-15(18)20-17-23(16)6-7-26-17/h2-3,8,19,21H,4-7,9H2,1H3
InChIKeyMWQLQFCJNUQSFW-UHFFFAOYSA-N
MW423.95 g/mol
LogP2.91
Rot. Bonds3

About 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 44544995) has the molecular formula C17H18ClN5O2S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID44544995
Molecular FormulaC17H18ClN5O2S2
Molecular Weight423.95 g/mol
Exact Mass423.06
IUPAC Name6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCc2c([nH]c3ccc(NS(=O)(=O)c4c(Cl)nc5n4CCS5)cc23)C1
InChIInChI=1S/C17H18ClN5O2S2/c1-22-5-4-11-12-8-10(2-3-13(12)19-14(11)9-22)21-27(24,25)16-15(18)20-17-23(16)6-7-26-17/h2-3,8,19,21H,4-7,9H2,1H3
InChIKeyMWQLQFCJNUQSFW-UHFFFAOYSA-N
XLogP2.91
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide 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

6-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
CID 44544800
6-chloro-N-(3-oxo-1,2-dihydroinden-5-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544699
6-chloro-N-isoquinolin-6-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544901
N-(7-chloronaphthalen-2-yl)sulfanyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-amine
CID 143423117
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 24876852
6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
CID 146387568
6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144868061
N-[(3-chloro-5-hydroxyphenyl)methyl]formamide;6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 153405503
6-chloro-N-(3-chloro-5-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
CID 146387587
N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 44544992
2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(3,5-dichlorophenyl)ethanone
CID 146381498
6-fluoro-2-propylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090120

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 44544995) is 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN1CCc2c([nH]c3ccc(NS(=O)(=O)c4c(Cl)nc5n4CCS5)cc23)C1.
What is the InChIKey of 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MWQLQFCJNUQSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S2/c1-22-5-4-11-12-8-10(2-3-13(12)19-14(11)9-22)21-27(24,25)16-15(18)20-17-23(16)6-7-26-17/h2-3,8,19,21H,4-7,9H2,1H3.
What are the key properties of 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 423.95 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 44544995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).