N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide

C8H11N3O2S2 — CID 166208940

IUPACN-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1cnns1
InChIInChI=1S/C8H11N3O2S2/c12-7(6-3-10-11-15-6)9-4-8(13)1-2-14-5-8/h3,13H,1-2,4-5H2,(H,9,12)
InChIKeyWUMDPKLJXQIPTJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.14
Rot. Bonds3

About N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide

N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 166208940) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
PubChem CID166208940
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC NameN-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1cnns1
InChIInChI=1S/C8H11N3O2S2/c12-7(6-3-10-11-15-6)9-4-8(13)1-2-14-5-8/h3,13H,1-2,4-5H2,(H,9,12)
InChIKeyWUMDPKLJXQIPTJ-UHFFFAOYSA-N
XLogP0.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide (CID 166208940) is N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide is O=C(NCC1(O)CCSC1)c1cnns1.
What is the InChIKey of N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is WUMDPKLJXQIPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c12-7(6-3-10-11-15-6)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-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide?
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 166208940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).