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

C11H16ClN3O3S2 — CID 61047458

IUPAC6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O3S2/c1-8(2)15(4-3-6-16)20(17,18)10-9(12)13-11-14(10)5-7-19-11/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeyBRAHXSRHMGDVFK-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.83
Rot. Bonds6

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

6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 61047458) has the molecular formula C11H16ClN3O3S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID61047458
Molecular FormulaC11H16ClN3O3S2
Molecular Weight337.85 g/mol
Exact Mass337.03
IUPAC Name6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O3S2/c1-8(2)15(4-3-6-16)20(17,18)10-9(12)13-11-14(10)5-7-19-11/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeyBRAHXSRHMGDVFK-UHFFFAOYSA-N
XLogP1.83
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 82948195
6-chloro-N-(5-hydroxypentyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 107199118
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 60813305
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)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115638895
6-chloro-N-(4-hydroxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106831846
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
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)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338
6-chloro-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61422810
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 61047458) is 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BRAHXSRHMGDVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S2/c1-8(2)15(4-3-6-16)20(17,18)10-9(12)13-11-14(10)5-7-19-11/h5,7-8,16H,3-4,6H2,1-2H3.
What are the key properties of 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 337.85 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxypropyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 61047458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).