N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

C10H18F2N2O2S2Si — CID 151301437

IUPACN-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)[Si](C)(C)NS(=O)(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C10H18F2N2O2S2Si/c1-10(2,3)19(4,5)14-18(15,16)7-6-13-9(17-7)8(11)12/h6,8,14H,1-5H3
InChIKeyOCMUVILNWFQSSW-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.36
Rot. Bonds4

About N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 151301437) has the molecular formula C10H18F2N2O2S2Si and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
PubChem CID151301437
Molecular FormulaC10H18F2N2O2S2Si
Molecular Weight328.48 g/mol
Exact Mass328.05
IUPAC NameN-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)[Si](C)(C)NS(=O)(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C10H18F2N2O2S2Si/c1-10(2,3)19(4,5)14-18(15,16)7-6-13-9(17-7)8(11)12/h6,8,14H,1-5H3
InChIKeyOCMUVILNWFQSSW-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (CID 151301437) is N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is CC(C)(C)[Si](C)(C)NS(=O)(=O)c1cnc(C(F)F)s1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is OCMUVILNWFQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S2Si/c1-10(2,3)19(4,5)14-18(15,16)7-6-13-9(17-7)8(11)12/h6,8,14H,1-5H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 151301437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).