2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide

C13H22N4O3S2 — CID 133355060

IUPAC2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)C(=O)N1CCCN(c2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C13H22N4O3S2/c1-13(2,3)11(18)16-5-4-6-17(8-7-16)12-15-9-10(21-12)22(14,19)20/h9H,4-8H2,1-3H3,(H2,14,19,20)
InChIKeyLDWXSJVADGUGIX-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.88
Rot. Bonds2

About 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide

2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 133355060) has the molecular formula C13H22N4O3S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID133355060
Molecular FormulaC13H22N4O3S2
Molecular Weight346.48 g/mol
Exact Mass346.11
IUPAC Name2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)C(=O)N1CCCN(c2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C13H22N4O3S2/c1-13(2,3)11(18)16-5-4-6-17(8-7-16)12-15-9-10(21-12)22(14,19)20/h9H,4-8H2,1-3H3,(H2,14,19,20)
InChIKeyLDWXSJVADGUGIX-UHFFFAOYSA-N
XLogP0.88
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282
4-(5-propan-2-ylsulfonyl-1,3-thiazol-2-yl)piperazine-1-carboxylic acid
CID 150534942
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008
2-[4-(2-methylpropyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 133363012
1-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171334016
cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165434688
2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 171335437
1-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 71860393
1-[4-(5-methoxy-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 171336024
methyl 4-(5-sulfamoyl-1,3-thiazol-2-yl)-1,4-thiazepane-6-carboxylate
CID 146092473
propan-2-yl 4-(5-bromo-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxylate
CID 168724904
2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119899756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide (CID 133355060) is 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide is CC(C)(C)C(=O)N1CCCN(c2ncc(S(N)(=O)=O)s2)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is LDWXSJVADGUGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S2/c1-13(2,3)11(18)16-5-4-6-17(8-7-16)12-15-9-10(21-12)22(14,19)20/h9H,4-8H2,1-3H3,(H2,14,19,20).
What are the key properties of 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide?
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 346.48 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133355060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).