(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid

C3H2BrN3O2S — CID 69158833

IUPAC(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nnc(Br)s1
InChIInChI=1S/C3H2BrN3O2S/c4-1-6-7-2(10-1)5-3(8)9/h(H,5,7)(H,8,9)
InChIKeyURSOAXCOZBPTIR-UHFFFAOYSA-N
MW224.04 g/mol
LogP1.39
Rot. Bonds1

About (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid

(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid (PubChem CID 69158833) has the molecular formula C3H2BrN3O2S and a molecular weight of 224.04 g/mol. Its IUPAC name is (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid
PubChem CID69158833
Molecular FormulaC3H2BrN3O2S
Molecular Weight224.04 g/mol
Exact Mass222.91
IUPAC Name(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nnc(Br)s1
InChIInChI=1S/C3H2BrN3O2S/c4-1-6-7-2(10-1)5-3(8)9/h(H,5,7)(H,8,9)
InChIKeyURSOAXCOZBPTIR-UHFFFAOYSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-bromo-1,3,4-thiadiazol-2-yl)-2,3,6-trifluorobenzamide
CID 118016459
(5-methoxycarbonylsulfanyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 145193215
(2S)-2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylpropanamide
CID 130634402
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N-methylacetamide
CID 64624512
3-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-N,N-dimethylpropanamide
CID 64625316
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854391
1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
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2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115643786
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid?
The IUPAC name of (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid (CID 69158833) is (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid?
The canonical SMILES for (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid is O=C(O)Nc1nnc(Br)s1.
What is the InChIKey of (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid?
The InChIKey is URSOAXCOZBPTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrN3O2S/c4-1-6-7-2(10-1)5-3(8)9/h(H,5,7)(H,8,9).
What are the key properties of (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid?
(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid has a molecular weight of 224.04 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid is sourced from PubChem (CID 69158833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).