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

C8H12ClN3O2S — CID 23404363

IUPACtert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nsc(Cl)n1
InChIInChI=1S/C8H12ClN3O2S/c1-8(2,3)14-7(13)10-4-5-11-6(9)15-12-5/h4H2,1-3H3,(H,10,13)
InChIKeyMYBGAELZJWHMAY-UHFFFAOYSA-N
MW249.72 g/mol
LogP2.22
Rot. Bonds2

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

tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate (PubChem CID 23404363) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
PubChem CID23404363
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Nametert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nsc(Cl)n1
InChIInChI=1S/C8H12ClN3O2S/c1-8(2,3)14-7(13)10-4-5-11-6(9)15-12-5/h4H2,1-3H3,(H,10,13)
InChIKeyMYBGAELZJWHMAY-UHFFFAOYSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate 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 N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
ethyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylate
CID 50742305
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297
tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
CID 130992862
tert-butyl N-[(6-chloropyrido[3,2-c]pyridazin-3-yl)methyl]carbamate
CID 156818946
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-thiadiazol-2-yl]acetic acid
CID 126689942
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate (CID 23404363) is tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nsc(Cl)n1.
What is the InChIKey of tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate?
The InChIKey is MYBGAELZJWHMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-8(2,3)14-7(13)10-4-5-11-6(9)15-12-5/h4H2,1-3H3,(H,10,13).
What are the key properties of tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate?
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate has a molecular weight of 249.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate is sourced from PubChem (CID 23404363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).