2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide

C7H13N3O4S3 — CID 22406988

IUPAC2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H13N3O4S3/c1-7(2,3)10-17(13,14)6-9-4-5(15-6)16(8,11)12/h4,10H,1-3H3,(H2,8,11,12)
InChIKeyHHEGSKWQAUQOPK-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.13
Rot. Bonds3

About 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide

2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide (PubChem CID 22406988) has the molecular formula C7H13N3O4S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide.

Molecular Properties

Compound Name2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide
PubChem CID22406988
Molecular FormulaC7H13N3O4S3
Molecular Weight299.40 g/mol
Exact Mass299.01
IUPAC Name2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C7H13N3O4S3/c1-7(2,3)10-17(13,14)6-9-4-5(15-6)16(8,11)12/h4,10H,1-3H3,(H2,8,11,12)
InChIKeyHHEGSKWQAUQOPK-UHFFFAOYSA-N
XLogP-0.13
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide?
The IUPAC name of 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide (CID 22406988) is 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide.
What is the SMILES notation for 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide?
The canonical SMILES for 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide is CC(C)(C)NS(=O)(=O)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide?
The InChIKey is HHEGSKWQAUQOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S3/c1-7(2,3)10-17(13,14)6-9-4-5(15-6)16(8,11)12/h4,10H,1-3H3,(H2,8,11,12).
What are the key properties of 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide?
2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide has a molecular weight of 299.40 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-1,3-thiazole-2,5-disulfonamide is sourced from PubChem (CID 22406988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).