2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

C6H10N2O4S2 — CID 146570563

IUPAC2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)(CO)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C6H10N2O4S2/c1-6(10,3-9)5-8-2-4(13-5)14(7,11)12/h2,9-10H,3H2,1H3,(H2,7,11,12)
InChIKeyACSWCCNHZMRQMB-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.01
Rot. Bonds3

About 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 146570563) has the molecular formula C6H10N2O4S2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID146570563
Molecular FormulaC6H10N2O4S2
Molecular Weight238.29 g/mol
Exact Mass238.01
IUPAC Name2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)(CO)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C6H10N2O4S2/c1-6(10,3-9)5-8-2-4(13-5)14(7,11)12/h2,9-10H,3H2,1H3,(H2,7,11,12)
InChIKeyACSWCCNHZMRQMB-UHFFFAOYSA-N
XLogP-1.01
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 146570563) is 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is CC(O)(CO)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is ACSWCCNHZMRQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S2/c1-6(10,3-9)5-8-2-4(13-5)14(7,11)12/h2,9-10H,3H2,1H3,(H2,7,11,12).
What are the key properties of 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?
2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 238.29 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 146570563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).