N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide

C6H13N3O2S2 — CID 43546264

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1=NCCS1
InChIInChI=1S/C6H13N3O2S2/c1-13(10,11)9-3-2-7-6-8-4-5-12-6/h9H,2-5H2,1H3,(H,7,8)
InChIKeyNWRNHMYXBOXYOT-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.77
Rot. Bonds4

About N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide (PubChem CID 43546264) has the molecular formula C6H13N3O2S2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide
PubChem CID43546264
Molecular FormulaC6H13N3O2S2
Molecular Weight223.32 g/mol
Exact Mass223.04
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1=NCCS1
InChIInChI=1S/C6H13N3O2S2/c1-13(10,11)9-3-2-7-6-8-4-5-12-6/h9H,2-5H2,1H3,(H,7,8)
InChIKeyNWRNHMYXBOXYOT-UHFFFAOYSA-N
XLogP-0.77
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide (CID 43546264) is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1=NCCS1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide?
The InChIKey is NWRNHMYXBOXYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S2/c1-13(10,11)9-3-2-7-6-8-4-5-12-6/h9H,2-5H2,1H3,(H,7,8).
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide has a molecular weight of 223.32 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43546264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).