2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C6H11N3O3S2 — CID 86607103

IUPAC2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCO
InChIInChI=1S/C6H11N3O3S2/c1-4-5(13-6(7)9-4)14(11,12)8-2-3-10/h8,10H,2-3H2,1H3,(H2,7,9)
InChIKeyJQVIASKXNFNCPC-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.70
Rot. Bonds4

About 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 86607103) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID86607103
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC Name2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCO
InChIInChI=1S/C6H11N3O3S2/c1-4-5(13-6(7)9-4)14(11,12)8-2-3-10/h8,10H,2-3H2,1H3,(H2,7,9)
InChIKeyJQVIASKXNFNCPC-UHFFFAOYSA-N
XLogP-0.70
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 86607103) is 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is JQVIASKXNFNCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c1-4-5(13-6(7)9-4)14(11,12)8-2-3-10/h8,10H,2-3H2,1H3,(H2,7,9).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 237.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 86607103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).