tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate

C14H22N4O2S — CID 167742080

IUPACtert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate
SMILESCc1nnc(C2CN(C(=O)OC(C)(C)C)CC23CNC3)s1
InChIInChI=1S/C14H22N4O2S/c1-9-16-17-11(21-9)10-5-18(8-14(10)6-15-7-14)12(19)20-13(2,3)4/h10,15H,5-8H2,1-4H3
InChIKeySMOUSQRSCBPIDP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate

tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate (PubChem CID 167742080) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate
PubChem CID167742080
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Nametert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate
SMILESCc1nnc(C2CN(C(=O)OC(C)(C)C)CC23CNC3)s1
InChIInChI=1S/C14H22N4O2S/c1-9-16-17-11(21-9)10-5-18(8-14(10)6-15-7-14)12(19)20-13(2,3)4/h10,15H,5-8H2,1-4H3
InChIKeySMOUSQRSCBPIDP-UHFFFAOYSA-N
XLogP1.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate 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

tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 82386806
tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71305847
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
CID 134129326
tert-butyl 3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 138106317
tert-butyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrrolidine-1-carboxylate
CID 56794395
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
5-O-tert-butyl 3a-O-ethyl (3aS)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a,5-dicarboxylate
CID 131847344
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate?
The IUPAC name of tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate (CID 167742080) is tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate is Cc1nnc(C2CN(C(=O)OC(C)(C)C)CC23CNC3)s1.
What is the InChIKey of tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate?
The InChIKey is SMOUSQRSCBPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-16-17-11(21-9)10-5-18(8-14(10)6-15-7-14)12(19)20-13(2,3)4/h10,15H,5-8H2,1-4H3.
What are the key properties of tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate?
tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 167742080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).