N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

C8H11N3O3S — CID 103849495

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1cnsn1
InChIInChI=1S/C8H11N3O3S/c12-7(6-3-10-15-11-6)9-4-8(13)1-2-14-5-8/h3,13H,1-2,4-5H2,(H,9,12)
InChIKeyGONHFWBBMVVMDZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.58
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 103849495) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID103849495
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1cnsn1
InChIInChI=1S/C8H11N3O3S/c12-7(6-3-10-15-11-6)9-4-8(13)1-2-14-5-8/h3,13H,1-2,4-5H2,(H,9,12)
InChIKeyGONHFWBBMVVMDZ-UHFFFAOYSA-N
XLogP-0.58
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 103849615
5-(furan-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 103849044
N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103849544
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032
N-[(3-hydroxyoxolan-3-yl)methyl]-1H-indazole-5-carboxamide
CID 103848874
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 103849495) is N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide is O=C(NCC1(O)CCOC1)c1cnsn1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is GONHFWBBMVVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-7(6-3-10-15-11-6)9-4-8(13)1-2-14-5-8/h3,13H,1-2,4-5H2,(H,9,12).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 229.26 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 103849495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).