2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole

C8H11N3O3S2 — CID 60814917

IUPAC2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
SMILESCN(C)S(=O)(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C8H11N3O3S2/c1-11(2)16(13,14)10-8-9-6-7(15-8)4-3-5-12/h6,12H,5H2,1-2H3,(H,9,10)
InChIKeyZXYHQJWTLYZRQR-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.29
Rot. Bonds3

About 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole

2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole (PubChem CID 60814917) has the molecular formula C8H11N3O3S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
PubChem CID60814917
Molecular FormulaC8H11N3O3S2
Molecular Weight261.33 g/mol
Exact Mass261.02
IUPAC Name2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
SMILESCN(C)S(=O)(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C8H11N3O3S2/c1-11(2)16(13,14)10-8-9-6-7(15-8)4-3-5-12/h6,12H,5H2,1-2H3,(H,9,10)
InChIKeyZXYHQJWTLYZRQR-UHFFFAOYSA-N
XLogP-0.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole?
The IUPAC name of 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole (CID 60814917) is 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole?
The canonical SMILES for 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole is CN(C)S(=O)(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole?
The InChIKey is ZXYHQJWTLYZRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S2/c1-11(2)16(13,14)10-8-9-6-7(15-8)4-3-5-12/h6,12H,5H2,1-2H3,(H,9,10).
What are the key properties of 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole?
2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole has a molecular weight of 261.33 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole is sourced from PubChem (CID 60814917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).