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

C10H19N3O2S2 — CID 54972557

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1nc(NS(=O)(=O)CCNC(C)C)sc1C
InChIInChI=1S/C10H19N3O2S2/c1-7(2)11-5-6-17(14,15)13-10-12-8(3)9(4)16-10/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyWQIIIGFSZIGHFU-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.50
Rot. Bonds6

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54972557) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54972557
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1nc(NS(=O)(=O)CCNC(C)C)sc1C
InChIInChI=1S/C10H19N3O2S2/c1-7(2)11-5-6-17(14,15)13-10-12-8(3)9(4)16-10/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyWQIIIGFSZIGHFU-UHFFFAOYSA-N
XLogP1.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54972557) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is Cc1nc(NS(=O)(=O)CCNC(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is WQIIIGFSZIGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-7(2)11-5-6-17(14,15)13-10-12-8(3)9(4)16-10/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54972557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).