tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate

C15H24N4O3S — CID 75425993

IUPACtert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1snnc1C(=O)N1CCCCCCC1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)16-12-11(17-18-23-12)13(20)19-9-7-5-4-6-8-10-19/h4-10H2,1-3H3,(H,16,21)
InChIKeyWLQPBESELFPTBX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate

tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate (PubChem CID 75425993) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate
PubChem CID75425993
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nametert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1snnc1C(=O)N1CCCCCCC1
InChIInChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)16-12-11(17-18-23-12)13(20)19-9-7-5-4-6-8-10-19/h4-10H2,1-3H3,(H,16,21)
InChIKeyWLQPBESELFPTBX-UHFFFAOYSA-N
XLogP3.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-methylthiadiazole-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752758
4-(azepane-1-carbonyl)thiadiazole-5-carboxylic acid
CID 117214909
[(2-methylpropan-2-yl)oxycarbonylamino] azepane-1-carboxylate
CID 175316788
(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 98201542
(2S)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 43819296
tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052793
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
tert-butyl N-[1-methyl-5-[[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamate
CID 129236892

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate (CID 75425993) is tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1snnc1C(=O)N1CCCCCCC1.
What is the InChIKey of tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate?
The InChIKey is WLQPBESELFPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-15(2,3)22-14(21)16-12-11(17-18-23-12)13(20)19-9-7-5-4-6-8-10-19/h4-10H2,1-3H3,(H,16,21).
What are the key properties of tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate?
tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(azocane-1-carbonyl)thiadiazol-5-yl]carbamate is sourced from PubChem (CID 75425993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).