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

C6H9N3O2S — CID 68803275

IUPAC(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
SMILESCC(C)c1nsc(NC(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-3(2)4-7-5(12-9-4)8-6(10)11/h3H,1-2H3,(H,10,11)(H,7,8,9)
InChIKeyYMLHOHYMGXVUNV-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.75
Rot. Bonds2

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

(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid (PubChem CID 68803275) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
PubChem CID68803275
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
SMILESCC(C)c1nsc(NC(=O)O)n1
InChIInChI=1S/C6H9N3O2S/c1-3(2)4-7-5(12-9-4)8-6(10)11/h3H,1-2H3,(H,10,11)(H,7,8,9)
InChIKeyYMLHOHYMGXVUNV-UHFFFAOYSA-N
XLogP1.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid?
The IUPAC name of (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid (CID 68803275) is (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid.
What is the SMILES notation for (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid?
The canonical SMILES for (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid is CC(C)c1nsc(NC(=O)O)n1.
What is the InChIKey of (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid?
The InChIKey is YMLHOHYMGXVUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-3(2)4-7-5(12-9-4)8-6(10)11/h3H,1-2H3,(H,10,11)(H,7,8,9).
What are the key properties of (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid?
(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid has a molecular weight of 187.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid is sourced from PubChem (CID 68803275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).