N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C16H18BrN3O2S2 — CID 53151749

IUPACN-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cn2c(S(=O)(=O)NCc3cccc(Br)c3)c(C(C)C)nc2s1
InChIInChI=1S/C16H18BrN3O2S2/c1-10(2)14-15(20-9-11(3)23-16(20)19-14)24(21,22)18-8-12-5-4-6-13(17)7-12/h4-7,9-10,18H,8H2,1-3H3
InChIKeyXICKNZVZWGCVPK-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.07
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 53151749) has the molecular formula C16H18BrN3O2S2 and a molecular weight of 428.38 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID53151749
Molecular FormulaC16H18BrN3O2S2
Molecular Weight428.38 g/mol
Exact Mass427.00
IUPAC NameN-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cn2c(S(=O)(=O)NCc3cccc(Br)c3)c(C(C)C)nc2s1
InChIInChI=1S/C16H18BrN3O2S2/c1-10(2)14-15(20-9-11(3)23-16(20)19-14)24(21,22)18-8-12-5-4-6-13(17)7-12/h4-7,9-10,18H,8H2,1-3H3
InChIKeyXICKNZVZWGCVPK-UHFFFAOYSA-N
XLogP4.07
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151726
N-(2-fluorophenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 53151692
N-[(3,4-dimethylphenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152153
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 20901058
N-[(3-bromophenyl)methyl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150447
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 63373516
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 61400770
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 53151749) is N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cn2c(S(=O)(=O)NCc3cccc(Br)c3)c(C(C)C)nc2s1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is XICKNZVZWGCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2S2/c1-10(2)14-15(20-9-11(3)23-16(20)19-14)24(21,22)18-8-12-5-4-6-13(17)7-12/h4-7,9-10,18H,8H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 428.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 53151749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).