2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

C10H15N3O3S2 — CID 114106555

IUPAC2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCC1OCCC1CNc1nnc(SCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S2/c1-6-7(2-3-16-6)4-11-9-12-13-10(18-9)17-5-8(14)15/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyAVNWLJXYEMAZIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.55
Rot. Bonds6

About 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 114106555) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID114106555
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCC1OCCC1CNc1nnc(SCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S2/c1-6-7(2-3-16-6)4-11-9-12-13-10(18-9)17-5-8(14)15/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyAVNWLJXYEMAZIH-UHFFFAOYSA-N
XLogP1.55
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 82728196
2-[[5-[(1-methylpyrrolidin-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 60855445
2-[[5-(2-bicyclo[2.2.1]heptanylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63682703
2-[[5-(oxan-4-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43610450
2-[[5-(oxane-4-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283764
2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 82749300
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 51258771
5-acetyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114106956
2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 51258799
1-(3-methylpiperidin-1-yl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 51258766
2-[[5-[(2,3-dimethylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43148523
2-[[5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 66407566

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 114106555) is 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is CC1OCCC1CNc1nnc(SCC(=O)O)s1.
What is the InChIKey of 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is AVNWLJXYEMAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-6-7(2-3-16-6)4-11-9-12-13-10(18-9)17-5-8(14)15/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 114106555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).