CID 89208249

C8H11BN2O2S — CID 89208249

IUPAC—
SMILES[B]c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C8H11BN2O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14-5/h4H,1-3H3,(H,11,12)
InChIKeyBOSUPBRXYUCLAT-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.28
Rot. Bonds1

About CID 89208249

CID 89208249 (PubChem CID 89208249) has the molecular formula C8H11BN2O2S and a molecular weight of 210.07 g/mol.

Molecular Properties

Compound NameCID 89208249
PubChem CID89208249
Molecular FormulaC8H11BN2O2S
Molecular Weight210.07 g/mol
Exact Mass210.06
IUPAC Name—
SMILES[B]c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C8H11BN2O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14-5/h4H,1-3H3,(H,11,12)
InChIKeyBOSUPBRXYUCLAT-UHFFFAOYSA-N
XLogP1.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-Butyl (2-cyclopropylthiazol-5-yl)carbamate
CID 92133067
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
CID 155822810
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
Di-tert-butyl thiazole-2,5-diyldicarbamate
CID 170914504
tert-Butyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 23088785
Tert-butyl carbamate;1,3-thiazole
CID 23441558

Frequently Asked Questions

What is the IUPAC name of CID 89208249?
The IUPAC name of CID 89208249 (CID 89208249) is not available.
What is the SMILES notation for CID 89208249?
The canonical SMILES for CID 89208249 is [B]c1ncc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of CID 89208249?
The InChIKey is BOSUPBRXYUCLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BN2O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14-5/h4H,1-3H3,(H,11,12).
What are the key properties of CID 89208249?
CID 89208249 has a molecular weight of 210.07 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89208249 is sourced from PubChem (CID 89208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).