N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine

C6H10N2O2S2 — CID 67303290

IUPACN-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine
SMILESCCNc1csc(S(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S2/c1-3-7-5-4-11-6(8-5)12(2,9)10/h4,7H,3H2,1-2H3
InChIKeyDGYUFZUNGADZIK-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.98
Rot. Bonds3

About N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine

N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine (PubChem CID 67303290) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine
PubChem CID67303290
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC NameN-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine
SMILESCCNc1csc(S(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S2/c1-3-7-5-4-11-6(8-5)12(2,9)10/h4,7H,3H2,1-2H3
InChIKeyDGYUFZUNGADZIK-UHFFFAOYSA-N
XLogP0.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine?
The IUPAC name of N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine (CID 67303290) is N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine is CCNc1csc(S(C)(=O)=O)n1.
What is the InChIKey of N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine?
The InChIKey is DGYUFZUNGADZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-3-7-5-4-11-6(8-5)12(2,9)10/h4,7H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine?
N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine has a molecular weight of 206.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-1,3-thiazol-4-amine is sourced from PubChem (CID 67303290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).