N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide

C6H9N3O2S — CID 43522681

IUPACN-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
SMILESCC(CO)NC(=O)c1cnns1
InChIInChI=1S/C6H9N3O2S/c1-4(3-10)8-6(11)5-2-7-9-12-5/h2,4,10H,3H2,1H3,(H,8,11)
InChIKeyVCKDGDVQODKPSE-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.35
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide

N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide (PubChem CID 43522681) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
PubChem CID43522681
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
SMILESCC(CO)NC(=O)c1cnns1
InChIInChI=1S/C6H9N3O2S/c1-4(3-10)8-6(11)5-2-7-9-12-5/h2,4,10H,3H2,1H3,(H,8,11)
InChIKeyVCKDGDVQODKPSE-UHFFFAOYSA-N
XLogP-0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide (CID 43522681) is N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide is CC(CO)NC(=O)c1cnns1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is VCKDGDVQODKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-4(3-10)8-6(11)5-2-7-9-12-5/h2,4,10H,3H2,1H3,(H,8,11).
What are the key properties of N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide?
N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 187.22 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 43522681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).