2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide

C15H24N2O2SSi — CID 140875114

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCCC#Cc1nc(C(N)=O)cs1
InChIInChI=1S/C15H24N2O2SSi/c1-15(2,3)21(4,5)19-10-8-6-7-9-13-17-12(11-20-13)14(16)18/h11H,6,8,10H2,1-5H3,(H2,16,18)
InChIKeyYIUOESNJQJNGGA-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.40
Rot. Bonds5

About 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide

2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide (PubChem CID 140875114) has the molecular formula C15H24N2O2SSi and a molecular weight of 324.52 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide
PubChem CID140875114
Molecular FormulaC15H24N2O2SSi
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCCC#Cc1nc(C(N)=O)cs1
InChIInChI=1S/C15H24N2O2SSi/c1-15(2,3)21(4,5)19-10-8-6-7-9-13-17-12(11-20-13)14(16)18/h11H,6,8,10H2,1-5H3,(H2,16,18)
InChIKeyYIUOESNJQJNGGA-UHFFFAOYSA-N
XLogP3.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-4-oxobut-1-ynyl)-1,3-thiazole-4-carboxylic acid
CID 170472783
methyl 3-[2-(4-carbamoyl-1,3-thiazol-2-yl)ethylamino]-2,2-dimethylpropanoate
CID 163486314
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 175572842
methyl 2-prop-1-ynyl-1,3-thiazole-4-carboxylate
CID 142313715
1-(2-prop-1-ynyl-1,3-thiazol-4-yl)ethanone
CID 142313557
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
ethane;methyl 2-prop-1-ynyl-1,3-thiazole-4-carboxylate
CID 142313714
methyl 6-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]hex-5-ynoate
CID 59615928
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
tert-butyl-(7-iodohept-6-ynoxy)-dimethylsilane
CID 87614781
3-[tert-butyl(dimethyl)silyl]oxypropylthiourea
CID 155592862

Frequently Asked Questions

What is the IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide (CID 140875114) is 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide is CC(C)(C)[Si](C)(C)OCCCC#Cc1nc(C(N)=O)cs1.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YIUOESNJQJNGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2SSi/c1-15(2,3)21(4,5)19-10-8-6-7-9-13-17-12(11-20-13)14(16)18/h11H,6,8,10H2,1-5H3,(H2,16,18).
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide?
2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxypent-1-ynyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 140875114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).