6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H10ClN3O3S2 — CID 106831846

IUPAC6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H10ClN3O3S2/c1-15(8-2-4-9(17)5-3-8)21(18,19)11-10(13)14-12-16(11)6-7-20-12/h2-7,17H,1H3
InChIKeyCXNSHQCWRAGBBI-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.58
Rot. Bonds3

About 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 106831846) has the molecular formula C12H10ClN3O3S2 and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID106831846
Molecular FormulaC12H10ClN3O3S2
Molecular Weight343.82 g/mol
Exact Mass342.99
IUPAC Name6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H10ClN3O3S2/c1-15(8-2-4-9(17)5-3-8)21(18,19)11-10(13)14-12-16(11)6-7-20-12/h2-7,17H,1H3
InChIKeyCXNSHQCWRAGBBI-UHFFFAOYSA-N
XLogP2.58
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 60813305
6-chloro-N-(5-hydroxypentyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107199118
6-chloro-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812795
6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047458
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
6-chloro-N-methyl-N-(3-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61446970
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79309236
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115638895
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 106831846) is 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is CXNSHQCWRAGBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S2/c1-15(8-2-4-9(17)5-3-8)21(18,19)11-10(13)14-12-16(11)6-7-20-12/h2-7,17H,1H3.
What are the key properties of 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 343.82 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 106831846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).