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

C9H15N3O3S2 — CID 63945601

IUPAC2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H15N3O3S2/c1-6-8(16-9(10)11-6)17(13,14)12-7-2-4-15-5-3-7/h7,12H,2-5H2,1H3,(H2,10,11)
InChIKeyPLBDUPUZPPCDAY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.49
Rot. Bonds3

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

2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 63945601) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID63945601
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H15N3O3S2/c1-6-8(16-9(10)11-6)17(13,14)12-7-2-4-15-5-3-7/h7,12H,2-5H2,1H3,(H2,10,11)
InChIKeyPLBDUPUZPPCDAY-UHFFFAOYSA-N
XLogP0.49
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107855913
2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945815
2-amino-4-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63945785
2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 79878440
2-amino-N-(2-cyclopropylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 113475570
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947223
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
CID 113482141
N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944408
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946412
5-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 110726893
4-methyl-5-methylsulfonyl-1,3-thiazol-2-amine
CID 91306499

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide (CID 63945601) is 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC1CCOCC1.
What is the InChIKey of 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PLBDUPUZPPCDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6-8(16-9(10)11-6)17(13,14)12-7-2-4-15-5-3-7/h7,12H,2-5H2,1H3,(H2,10,11).
What are the key properties of 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).