2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid

C5H7N3O2S — CID 146382309

IUPAC2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1nncs1
InChIInChI=1S/C5H7N3O2S/c9-5(10)6-2-1-4-8-7-3-11-4/h3,6H,1-2H2,(H,9,10)
InChIKeyXOIIVDUONUJOBM-UHFFFAOYSA-N
MW173.20 g/mol
LogP0.35
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid

2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid (PubChem CID 146382309) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid
PubChem CID146382309
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1nncs1
InChIInChI=1S/C5H7N3O2S/c9-5(10)6-2-1-4-8-7-3-11-4/h3,6H,1-2H2,(H,9,10)
InChIKeyXOIIVDUONUJOBM-UHFFFAOYSA-N
XLogP0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 144922079
3-(1,3,4-thiadiazol-2-yl)propan-1-ol
CID 67246374
2-(2-fluoroethyl)-1,3,4-thiadiazole
CID 66881991
2-(2-bromoethyl)-1,3,4-thiadiazole
CID 174744671
N-acetyl-2-(1,3,4-thiadiazol-2-yl)acetamide
CID 174609617
1-[3-nitro-4-[2-(1,3,4-thiadiazol-2-yl)ethylamino]phenyl]ethanone
CID 136574441
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192939
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid
CID 68925492
2-hydroxy-N-[5-[4-(1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 134302640
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
N,N-dipropyl-2-(1,3,4-thiadiazol-2-yl)acetamide
CID 54181109

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid (CID 146382309) is 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid is O=C(O)NCCc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid?
The InChIKey is XOIIVDUONUJOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c9-5(10)6-2-1-4-8-7-3-11-4/h3,6H,1-2H2,(H,9,10).
What are the key properties of 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid?
2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid has a molecular weight of 173.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-yl)ethylcarbamic acid is sourced from PubChem (CID 146382309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).