N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C6H11N3O3S2 — CID 43603447

IUPACN-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCN
InChIInChI=1S/C6H11N3O3S2/c1-4-5(13-6(10)9-4)14(11,12)8-3-2-7/h8H,2-3,7H2,1H3,(H,9,10)
InChIKeyZNIDRBXUJPQFAQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-1.02
Rot. Bonds4

About N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43603447) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43603447
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC NameN-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCN
InChIInChI=1S/C6H11N3O3S2/c1-4-5(13-6(10)9-4)14(11,12)8-3-2-7/h8H,2-3,7H2,1H3,(H,9,10)
InChIKeyZNIDRBXUJPQFAQ-UHFFFAOYSA-N
XLogP-1.02
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43603447) is N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is ZNIDRBXUJPQFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c1-4-5(13-6(10)9-4)14(11,12)8-3-2-7/h8H,2-3,7H2,1H3,(H,9,10).
What are the key properties of N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 237.31 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43603447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).