2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide

C9H17N3O2S3 — CID 133275877

IUPAC2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)SCCNc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O2S3/c1-9(2,3)15-5-4-11-8-12-6-7(16-8)17(10,13)14/h6H,4-5H2,1-3H3,(H,11,12)(H2,10,13,14)
InChIKeyVTOOVPKYLJAXGJ-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.73
Rot. Bonds5

About 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide

2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 133275877) has the molecular formula C9H17N3O2S3 and a molecular weight of 295.46 g/mol. Its IUPAC name is 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide
PubChem CID133275877
Molecular FormulaC9H17N3O2S3
Molecular Weight295.46 g/mol
Exact Mass295.05
IUPAC Name2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)SCCNc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O2S3/c1-9(2,3)15-5-4-11-8-12-6-7(16-8)17(10,13)14/h6H,4-5H2,1-3H3,(H,11,12)(H2,10,13,14)
InChIKeyVTOOVPKYLJAXGJ-UHFFFAOYSA-N
XLogP1.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
CID 133327400
2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133406322
2-[(1-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133329795
2-[[(2S)-1-hydroxypropan-2-yl]amino]-1,3-thiazole-5-sulfonamide
CID 131020862
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133279971
2-(cyclopentylamino)-1,3-thiazole-5-sulfonamide
CID 133279976
2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133280999
2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133296770
2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133302465
2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919
2-(2-tert-butylsulfanylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133275856
2-[(2-ethylsulfanylcyclopentyl)amino]-1,3-thiazole-5-sulfonamide
CID 133378448

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide (CID 133275877) is 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide is CC(C)(C)SCCNc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is VTOOVPKYLJAXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S3/c1-9(2,3)15-5-4-11-8-12-6-7(16-8)17(10,13)14/h6H,4-5H2,1-3H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide?
2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 295.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfanylethylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133275877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).