N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide

C7H11N3O3S — CID 66171531

IUPACN-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cnns1
InChIInChI=1S/C7H11N3O3S/c1-7(13,4-11)3-8-6(12)5-2-9-10-14-5/h2,11,13H,3-4H2,1H3,(H,8,12)
InChIKeyORLDYMOEKGOESR-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.99
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide (PubChem CID 66171531) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
PubChem CID66171531
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
SMILESCC(O)(CO)CNC(=O)c1cnns1
InChIInChI=1S/C7H11N3O3S/c1-7(13,4-11)3-8-6(12)5-2-9-10-14-5/h2,11,13H,3-4H2,1H3,(H,8,12)
InChIKeyORLDYMOEKGOESR-UHFFFAOYSA-N
XLogP-0.99
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide (CID 66171531) is N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide is CC(O)(CO)CNC(=O)c1cnns1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?
The InChIKey is ORLDYMOEKGOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-7(13,4-11)3-8-6(12)5-2-9-10-14-5/h2,11,13H,3-4H2,1H3,(H,8,12).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide has a molecular weight of 217.25 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 66171531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).