N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine

C12H16N2O2S2 — CID 103936349

IUPACN-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
SMILESCCS(=O)(=O)CC(C)Nc1ccc2ncsc2c1
InChIInChI=1S/C12H16N2O2S2/c1-3-18(15,16)7-9(2)14-10-4-5-11-12(6-10)17-8-13-11/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyDQSQHTLDSWHHJZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.53
Rot. Bonds5

About N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine

N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 103936349) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
PubChem CID103936349
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
SMILESCCS(=O)(=O)CC(C)Nc1ccc2ncsc2c1
InChIInChI=1S/C12H16N2O2S2/c1-3-18(15,16)7-9(2)14-10-4-5-11-12(6-10)17-8-13-11/h4-6,8-9,14H,3,7H2,1-2H3
InChIKeyDQSQHTLDSWHHJZ-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine 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

N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
CID 115929163
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine
CID 103936360

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine (CID 103936349) is N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine is CCS(=O)(=O)CC(C)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is DQSQHTLDSWHHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-3-18(15,16)7-9(2)14-10-4-5-11-12(6-10)17-8-13-11/h4-6,8-9,14H,3,7H2,1-2H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine?
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 284.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103936349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).