4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane

C10H15ClN2O3S2 — CID 62973431

IUPAC4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCOC(C)C1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-6-13(4-3-5-16-7)18(14,15)9-8(2)12-10(11)17-9/h7H,3-6H2,1-2H3
InChIKeyVXMMZECANBWTFZ-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.90
Rot. Bonds2

About 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane (PubChem CID 62973431) has the molecular formula C10H15ClN2O3S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
PubChem CID62973431
Molecular FormulaC10H15ClN2O3S2
Molecular Weight310.83 g/mol
Exact Mass310.02
IUPAC Name4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCOC(C)C1
InChIInChI=1S/C10H15ClN2O3S2/c1-7-6-13(4-3-5-16-7)18(14,15)9-8(2)12-10(11)17-9/h7H,3-6H2,1-2H3
InChIKeyVXMMZECANBWTFZ-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-Dimethyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 12873190
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,6-dimethylmorpholine
CID 43415396
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylmorpholine
CID 43415418
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
2-Chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 43456246
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-methylmorpholine
CID 43542203
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,5-dimethylmorpholine
CID 43544674
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562748
2-chloro-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43591351
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,2-dimethylmorpholine
CID 43592795
4-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-3-ethylmorpholine
CID 43613194
2-chloro-N-ethyl-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 54948744

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane?
The IUPAC name of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane (CID 62973431) is 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane.
What is the SMILES notation for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane?
The canonical SMILES for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane is Cc1nc(Cl)sc1S(=O)(=O)N1CCCOC(C)C1.
What is the InChIKey of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane?
The InChIKey is VXMMZECANBWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S2/c1-7-6-13(4-3-5-16-7)18(14,15)9-8(2)12-10(11)17-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane?
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane has a molecular weight of 310.83 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane is sourced from PubChem (CID 62973431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).