2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine

C6H10N2O2S2 — CID 117187031

IUPAC2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
SMILESCCS(=O)(=O)Cc1nc(N)cs1
InChIInChI=1S/C6H10N2O2S2/c1-2-12(9,10)4-6-8-5(7)3-11-6/h3H,2,4,7H2,1H3
InChIKeyDPMACXQFEODZMH-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.66
Rot. Bonds3

About 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine

2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine (PubChem CID 117187031) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
PubChem CID117187031
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
SMILESCCS(=O)(=O)Cc1nc(N)cs1
InChIInChI=1S/C6H10N2O2S2/c1-2-12(9,10)4-6-8-5(7)3-11-6/h3H,2,4,7H2,1H3
InChIKeyDPMACXQFEODZMH-UHFFFAOYSA-N
XLogP0.66
TPSA73.05 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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-1,3-thiazol-4-amine
CID 117187093
2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine
CID 83108600
(4-amino-1,3-thiazol-2-yl)methanol
CID 18533370
2-(4-amino-1,3-thiazol-2-yl)acetamide
CID 130787595
2-prop-2-enyl-1,3-thiazol-4-amine
CID 66654720
2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide
CID 58181353
2-(3-methoxypropyl)-1,3-thiazol-4-amine
CID 83108358
2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetic acid
CID 58181248
2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049213
4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
CID 166373193
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine
CID 117214317

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine (CID 117187031) is 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine is CCS(=O)(=O)Cc1nc(N)cs1.
What is the InChIKey of 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine?
The InChIKey is DPMACXQFEODZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-2-12(9,10)4-6-8-5(7)3-11-6/h3H,2,4,7H2,1H3.
What are the key properties of 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine?
2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine has a molecular weight of 206.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 117187031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).