6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H17ClN4O2S2 — CID 79309236

IUPAC6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H17ClN4O2S2/c1-15-5-3-4-9(15)8-16(2)21(18,19)11-10(13)14-12-17(11)6-7-20-12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyDNFPYPCQNGETBB-UHFFFAOYSA-N
MW348.88 g/mol
LogP1.76
Rot. Bonds4

About 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 79309236) has the molecular formula C12H17ClN4O2S2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID79309236
Molecular FormulaC12H17ClN4O2S2
Molecular Weight348.88 g/mol
Exact Mass348.05
IUPAC Name6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCCC1CN(C)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H17ClN4O2S2/c1-15-5-3-4-9(15)8-16(2)21(18,19)11-10(13)14-12-17(11)6-7-20-12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyDNFPYPCQNGETBB-UHFFFAOYSA-N
XLogP1.76
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812795
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 60813305
6-chloro-N-methyl-N-(3-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61446970
6-chloro-N-(5-hydroxypentyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107199118
6-amino-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62856273
6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679
[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpiperidin-2-yl]methanol
CID 61052306
5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107084387
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60813639
6-chloro-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61422810
6-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60813970
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 128852399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 79309236) is 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN1CCCC1CN(C)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DNFPYPCQNGETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2S2/c1-15-5-3-4-9(15)8-16(2)21(18,19)11-10(13)14-12-17(11)6-7-20-12/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 348.88 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 79309236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).