N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide

C7H11N3O3S — CID 65216327

IUPACN,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCO)CCO
InChIInChI=1S/C7H11N3O3S/c11-3-1-10(2-4-12)7(13)6-5-14-9-8-6/h5,11-12H,1-4H2
InChIKeyOELGAMUPZPJHMF-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.04
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide

N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide (PubChem CID 65216327) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
PubChem CID65216327
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCO)CCO
InChIInChI=1S/C7H11N3O3S/c11-3-1-10(2-4-12)7(13)6-5-14-9-8-6/h5,11-12H,1-4H2
InChIKeyOELGAMUPZPJHMF-UHFFFAOYSA-N
XLogP-1.04
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide (CID 65216327) is N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide is O=C(c1csnn1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide?
The InChIKey is OELGAMUPZPJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c11-3-1-10(2-4-12)7(13)6-5-14-9-8-6/h5,11-12H,1-4H2.
What are the key properties of N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide?
N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide has a molecular weight of 217.25 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65216327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).