N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C16H19BrN4O2S2 — CID 44544992

IUPACN-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1CC(C)(N)c2ccc(NS(=O)(=O)c3c(Br)nc4n3CCS4)cc21
InChIInChI=1S/C16H19BrN4O2S2/c1-9-8-16(2,18)12-4-3-10(7-11(9)12)20-25(22,23)14-13(17)19-15-21(14)5-6-24-15/h3-4,7,9,20H,5-6,8,18H2,1-2H3
InChIKeyINORLRPIOJGXDD-UHFFFAOYSA-N
MW443.39 g/mol
LogP3.23
Rot. Bonds3

About N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 44544992) has the molecular formula C16H19BrN4O2S2 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID44544992
Molecular FormulaC16H19BrN4O2S2
Molecular Weight443.39 g/mol
Exact Mass442.01
IUPAC NameN-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1CC(C)(N)c2ccc(NS(=O)(=O)c3c(Br)nc4n3CCS4)cc21
InChIInChI=1S/C16H19BrN4O2S2/c1-9-8-16(2,18)12-4-3-10(7-11(9)12)20-25(22,23)14-13(17)19-15-21(14)5-6-24-15/h3-4,7,9,20H,5-6,8,18H2,1-2H3
InChIKeyINORLRPIOJGXDD-UHFFFAOYSA-N
XLogP3.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

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Related Compounds

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
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-(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
6-amino-N-(4-bromo-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62150268
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
CID 103354389
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7488338
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
CID 89130196
CID 89130196
N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
5-bromo-3-methyl-N-quinoxalin-6-yltriazole-4-sulfonamide
CID 103354478
4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 166375464

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 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) is N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC1CC(C)(N)c2ccc(NS(=O)(=O)c3c(Br)nc4n3CCS4)cc21.
What is the InChIKey of N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is INORLRPIOJGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2S2/c1-9-8-16(2,18)12-4-3-10(7-11(9)12)20-25(22,23)14-13(17)19-15-21(14)5-6-24-15/h3-4,7,9,20H,5-6,8,18H2,1-2H3.
What are the key properties of N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 443.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1,3-dimethyl-2,3-dihydroinden-5-yl)-6-bromo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 44544992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).