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

C9H15N3O3S2 — CID 63945815

IUPAC2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C9H15N3O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-4-7-2-3-15-5-7/h7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyVNNXDOOWKUQQLN-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.35
Rot. Bonds4

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

2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63945815) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID63945815
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C9H15N3O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-4-7-2-3-15-5-7/h7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyVNNXDOOWKUQQLN-UHFFFAOYSA-N
XLogP0.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61047011
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946412
2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63946600
2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63946820
2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
CID 63945601
2-amino-N-(2-cyclopropylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 113475570
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822
3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116503
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
2-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128072
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 63945815) is 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCC1CCOC1.
What is the InChIKey of 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VNNXDOOWKUQQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6-8(16-9(10)12-6)17(13,14)11-4-7-2-3-15-5-7/h7,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.35, 4 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-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).