N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide

C6H11N3O2S2 — CID 106337764

IUPACN-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccs1
InChIInChI=1S/C6H11N3O2S2/c1-7-13(10,11)5-3-9-6-8-2-4-12-6/h2,4,7H,3,5H2,1H3,(H,8,9)
InChIKeyAXDZNJNKSAFHLM-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.10
Rot. Bonds5

About N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide

N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide (PubChem CID 106337764) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
PubChem CID106337764
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC NameN-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccs1
InChIInChI=1S/C6H11N3O2S2/c1-7-13(10,11)5-3-9-6-8-2-4-12-6/h2,4,7H,3,5H2,1H3,(H,8,9)
InChIKeyAXDZNJNKSAFHLM-UHFFFAOYSA-N
XLogP0.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Azane;1,3-thiazol-2-ylcarbamoylsulfamic acid
CID 168299156
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
N-methyl-1,3-thiazol-2-amine
CID 11959081
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
N,N'-di(thiazol-2-yl)ethane-1,1-diamine
CID 100047
2-Oxo-2-(1,3-thiazol-2-ylamino)ethanesulfonic acid
CID 168298825
1,3-Thiazol-2-ylthiourea
CID 2771008
N-(1-Methylethyl)-2-thiazolamine
CID 2160964
n-butyl-N-2-thiazolylsulfonamide
CID 9117500
N,N-diethylethanamine; thiazol-2-ylcarbamodithioic acid
CID 21453297
2-Thioacetylamino-thiazole
CID 5365396

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide (CID 106337764) is N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide is CNS(=O)(=O)CCNc1nccs1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide?
The InChIKey is AXDZNJNKSAFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-7-13(10,11)5-3-9-6-8-2-4-12-6/h2,4,7H,3,5H2,1H3,(H,8,9).
What are the key properties of N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide?
N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide has a molecular weight of 221.31 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 106337764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).