N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide

C5H9N3O2S2 — CID 87387410

IUPACN-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide
SMILESCN(c1csc(N)n1)S(C)(=O)=O
InChIInChI=1S/C5H9N3O2S2/c1-8(12(2,9)10)4-3-11-5(6)7-4/h3H,1-2H3,(H2,6,7)
InChIKeyZIPVAXCEHATKHE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.12
Rot. Bonds2

About N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide

N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide (PubChem CID 87387410) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide
PubChem CID87387410
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC NameN-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide
SMILESCN(c1csc(N)n1)S(C)(=O)=O
InChIInChI=1S/C5H9N3O2S2/c1-8(12(2,9)10)4-3-11-5(6)7-4/h3H,1-2H3,(H2,6,7)
InChIKeyZIPVAXCEHATKHE-UHFFFAOYSA-N
XLogP0.12
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide (CID 87387410) is N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide is CN(c1csc(N)n1)S(C)(=O)=O.
What is the InChIKey of N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide?
The InChIKey is ZIPVAXCEHATKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c1-8(12(2,9)10)4-3-11-5(6)7-4/h3H,1-2H3,(H2,6,7).
What are the key properties of N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide?
N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide has a molecular weight of 207.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-thiazol-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 87387410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).