4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine

C6H10N2O2S2 — CID 117214317

IUPAC4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine
SMILESCCS(=O)(=O)Cc1ncsc1N
InChIInChI=1S/C6H10N2O2S2/c1-2-12(9,10)3-5-6(7)11-4-8-5/h4H,2-3,7H2,1H3
InChIKeyROELEVSQUOSUAI-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.66
Rot. Bonds3

About 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine

4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine (PubChem CID 117214317) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine
PubChem CID117214317
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine
SMILESCCS(=O)(=O)Cc1ncsc1N
InChIInChI=1S/C6H10N2O2S2/c1-2-12(9,10)3-5-6(7)11-4-8-5/h4H,2-3,7H2,1H3
InChIKeyROELEVSQUOSUAI-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

4-(ethoxymethyl)-1,3-thiazol-5-amine
CID 117214392
2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
CID 117187031
(5-amino-1,3-thiazol-4-yl)-methylsulfonylmethanone
CID 117214820
4-(2-phenylethyl)-1,3-thiazol-5-amine
CID 62880575
4-pentan-3-yl-1,3-thiazol-5-amine
CID 62082207
3-(ethylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178064
4-ethyl-5-methyl-1,3-thiazole;methanamine
CID 142407721
(4-methyl-1,3-thiazol-5-yl)methanesulfonamide
CID 112639898
5-ethylsulfonyl-1,3-benzothiazol-4-amine
CID 43451183
4-chloro-1,3-thiazol-5-amine
CID 69334889
4-(chloromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 125426428
2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
CID 117192611

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine (CID 117214317) is 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine is CCS(=O)(=O)Cc1ncsc1N.
What is the InChIKey of 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine?
The InChIKey is ROELEVSQUOSUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-2-12(9,10)3-5-6(7)11-4-8-5/h4H,2-3,7H2,1H3.
What are the key properties of 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine?
4-(ethylsulfonylmethyl)-1,3-thiazol-5-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 4-(ethylsulfonylmethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 117214317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).