N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

C11H21N3O2S2 — CID 54972708

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCc1nc(NS(=O)(=O)CCNC(C)C)sc1C
InChIInChI=1S/C11H21N3O2S2/c1-5-10-9(4)17-11(13-10)14-18(15,16)7-6-12-8(2)3/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHSKXJWLSFHMCHK-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.75
Rot. Bonds7

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54972708) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54972708
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCc1nc(NS(=O)(=O)CCNC(C)C)sc1C
InChIInChI=1S/C11H21N3O2S2/c1-5-10-9(4)17-11(13-10)14-18(15,16)7-6-12-8(2)3/h8,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyHSKXJWLSFHMCHK-UHFFFAOYSA-N
XLogP1.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide 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

4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116816033
sodium N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamate
CID 174221531
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973693
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 61356371
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082732
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61475746
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54972708) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is CCc1nc(NS(=O)(=O)CCNC(C)C)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is HSKXJWLSFHMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-5-10-9(4)17-11(13-10)14-18(15,16)7-6-12-8(2)3/h8,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54972708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).