tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate

C7H10ClN3O2S — CID 67062698

IUPACtert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)ns1
InChIInChI=1S/C7H10ClN3O2S/c1-7(2,3)13-6(12)10-5-9-4(8)11-14-5/h1-3H3,(H,9,10,11,12)
InChIKeyUKOAFAZCVLVBTK-UHFFFAOYSA-N
MW235.70 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate

tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate (PubChem CID 67062698) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
PubChem CID67062698
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Nametert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)ns1
InChIInChI=1S/C7H10ClN3O2S/c1-7(2,3)13-6(12)10-5-9-4(8)11-14-5/h1-3H3,(H,9,10,11,12)
InChIKeyUKOAFAZCVLVBTK-UHFFFAOYSA-N
XLogP2.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate (CID 67062698) is tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(Cl)ns1.
What is the InChIKey of tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate?
The InChIKey is UKOAFAZCVLVBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-7(2,3)13-6(12)10-5-9-4(8)11-14-5/h1-3H3,(H,9,10,11,12).
What are the key properties of tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate?
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate has a molecular weight of 235.70 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate is sourced from PubChem (CID 67062698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).