N-(cyclopropylmethoxy)thiadiazole-5-carboxamide

C7H9N3O2S — CID 141030507

IUPACN-(cyclopropylmethoxy)thiadiazole-5-carboxamide
SMILESO=C(NOCC1CC1)c1cnns1
InChIInChI=1S/C7H9N3O2S/c11-7(6-3-8-10-13-6)9-12-4-5-1-2-5/h3,5H,1-2,4H2,(H,9,11)
InChIKeyUELAQSSBBNNZII-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.61
Rot. Bonds4

About N-(cyclopropylmethoxy)thiadiazole-5-carboxamide

N-(cyclopropylmethoxy)thiadiazole-5-carboxamide (PubChem CID 141030507) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)thiadiazole-5-carboxamide
PubChem CID141030507
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-(cyclopropylmethoxy)thiadiazole-5-carboxamide
SMILESO=C(NOCC1CC1)c1cnns1
InChIInChI=1S/C7H9N3O2S/c11-7(6-3-8-10-13-6)9-12-4-5-1-2-5/h3,5H,1-2,4H2,(H,9,11)
InChIKeyUELAQSSBBNNZII-UHFFFAOYSA-N
XLogP0.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)thiadiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)thiadiazole-5-carboxamide (CID 141030507) is N-(cyclopropylmethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)thiadiazole-5-carboxamide is O=C(NOCC1CC1)c1cnns1.
What is the InChIKey of N-(cyclopropylmethoxy)thiadiazole-5-carboxamide?
The InChIKey is UELAQSSBBNNZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-7(6-3-8-10-13-6)9-12-4-5-1-2-5/h3,5H,1-2,4H2,(H,9,11).
What are the key properties of N-(cyclopropylmethoxy)thiadiazole-5-carboxamide?
N-(cyclopropylmethoxy)thiadiazole-5-carboxamide has a molecular weight of 199.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 141030507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).