2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide

C7H13N3O2S2 — CID 87417112

IUPAC2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C7H13N3O2S2/c1-7(2,3)10-14(11,12)5-4-9-6(8)13-5/h4,10H,1-3H3,(H2,8,9)
InChIKeyFUBPTCCBHCUOFZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide

2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide (PubChem CID 87417112) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
PubChem CID87417112
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C7H13N3O2S2/c1-7(2,3)10-14(11,12)5-4-9-6(8)13-5/h4,10H,1-3H3,(H2,8,9)
InChIKeyFUBPTCCBHCUOFZ-UHFFFAOYSA-N
XLogP0.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide (CID 87417112) is 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide is CC(C)(C)NS(=O)(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide?
The InChIKey is FUBPTCCBHCUOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-7(2,3)10-14(11,12)5-4-9-6(8)13-5/h4,10H,1-3H3,(H2,8,9).
What are the key properties of 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide?
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 87417112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).