1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide

C6H10BrN3O2S2 — CID 131097829

IUPAC1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide
SMILESCC(CNc1nc(Br)cs1)S(N)(=O)=O
InChIInChI=1S/C6H10BrN3O2S2/c1-4(14(8,11)12)2-9-6-10-5(7)3-13-6/h3-4H,2H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyUCOJVMYTXFJBHT-UHFFFAOYSA-N
MW300.20 g/mol
LogP0.99
Rot. Bonds4

About 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide

1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide (PubChem CID 131097829) has the molecular formula C6H10BrN3O2S2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide.

Molecular Properties

Compound Name1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide
PubChem CID131097829
Molecular FormulaC6H10BrN3O2S2
Molecular Weight300.20 g/mol
Exact Mass298.94
IUPAC Name1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide
SMILESCC(CNc1nc(Br)cs1)S(N)(=O)=O
InChIInChI=1S/C6H10BrN3O2S2/c1-4(14(8,11)12)2-9-6-10-5(7)3-13-6/h3-4H,2H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyUCOJVMYTXFJBHT-UHFFFAOYSA-N
XLogP0.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide?
The IUPAC name of 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide (CID 131097829) is 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide.
What is the SMILES notation for 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide?
The canonical SMILES for 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide is CC(CNc1nc(Br)cs1)S(N)(=O)=O.
What is the InChIKey of 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide?
The InChIKey is UCOJVMYTXFJBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3O2S2/c1-4(14(8,11)12)2-9-6-10-5(7)3-13-6/h3-4H,2H2,1H3,(H,9,10)(H2,8,11,12).
What are the key properties of 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide?
1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide has a molecular weight of 300.20 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-thiazol-2-yl)amino]propane-2-sulfonamide is sourced from PubChem (CID 131097829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).