propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate

C11H15N3O5S2 — CID 114465631

IUPACpropan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C11H15N3O5S2/c1-8(2)19-11(16)14-21(17,18)13-10-12-7-9(20-10)5-3-4-6-15/h7-8,15H,4,6H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyQRMZJWKFIXWWSA-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.67
Rot. Bonds5

About propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate

propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate (PubChem CID 114465631) has the molecular formula C11H15N3O5S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate
PubChem CID114465631
Molecular FormulaC11H15N3O5S2
Molecular Weight333.39 g/mol
Exact Mass333.05
IUPAC Namepropan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C11H15N3O5S2/c1-8(2)19-11(16)14-21(17,18)13-10-12-7-9(20-10)5-3-4-6-15/h7-8,15H,4,6H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyQRMZJWKFIXWWSA-UHFFFAOYSA-N
XLogP0.67
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate (CID 114465631) is propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1ncc(C#CCCO)s1.
What is the InChIKey of propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate?
The InChIKey is QRMZJWKFIXWWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S2/c1-8(2)19-11(16)14-21(17,18)13-10-12-7-9(20-10)5-3-4-6-15/h7-8,15H,4,6H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate?
propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate is sourced from PubChem (CID 114465631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).