tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate

C9H15N3O2S — CID 130913963

IUPACtert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1csnn1
InChIInChI=1S/C9H15N3O2S/c1-6(7-5-15-12-11-7)10-8(13)14-9(2,3)4/h5-6H,1-4H3,(H,10,13)
InChIKeyVXOHGSVMTQTZMJ-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate

tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate (PubChem CID 130913963) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
PubChem CID130913963
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1csnn1
InChIInChI=1S/C9H15N3O2S/c1-6(7-5-15-12-11-7)10-8(13)14-9(2,3)4/h5-6H,1-4H3,(H,10,13)
InChIKeyVXOHGSVMTQTZMJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
tert-butyl N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]carbamate
CID 177202082
tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
CID 130748149
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[1-(1,8-naphthyridin-2-yl)ethyl]carbamate
CID 57185264
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 124567722
tert-butyl N-[(1S)-1-[2-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
CID 166163893
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate (CID 130913963) is tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1csnn1.
What is the InChIKey of tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate?
The InChIKey is VXOHGSVMTQTZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(7-5-15-12-11-7)10-8(13)14-9(2,3)4/h5-6H,1-4H3,(H,10,13).
What are the key properties of tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate?
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate has a molecular weight of 229.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 130913963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).