tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate

C14H22N2O2SSi — CID 86630950

IUPACtert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C#C[Si](C)(C)C
InChIInChI=1S/C14H22N2O2SSi/c1-10-11(8-9-20(5,6)7)19-12(15-10)16-13(17)18-14(2,3)4/h1-7H3,(H,15,16,17)
InChIKeyFYSTXFOYXLAVQQ-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.03
Rot. Bonds1

About tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 86630950) has the molecular formula C14H22N2O2SSi and a molecular weight of 310.50 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate
PubChem CID86630950
Molecular FormulaC14H22N2O2SSi
Molecular Weight310.50 g/mol
Exact Mass310.12
IUPAC Nametert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C#C[Si](C)(C)C
InChIInChI=1S/C14H22N2O2SSi/c1-10-11(8-9-20(5,6)7)19-12(15-10)16-13(17)18-14(2,3)4/h1-7H3,(H,15,16,17)
InChIKeyFYSTXFOYXLAVQQ-UHFFFAOYSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate
CID 75412064
tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
CID 151355104
tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 57855241
tert-butyl N-[5-(bromomethyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 58327488
Tert-butyl (5-ethynyl-4-methylthiazol-2-yl)carbamate
CID 86630951
2-methoxyethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 87488471
tert-Butyl (4-((trimethylsilyl)ethynyl)thiazol-2-yl)carbamate
CID 155570907
tert-butyl N-[5-(2-cyclopropylethynyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 168176752
ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 4101897
tert-butyl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 65142789
propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 116654706
propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 130524441

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate (CID 86630950) is tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is FYSTXFOYXLAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2SSi/c1-10-11(8-9-20(5,6)7)19-12(15-10)16-13(17)18-14(2,3)4/h1-7H3,(H,15,16,17).
What are the key properties of tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 310.50 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-5-(2-trimethylsilylethynyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 86630950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).