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

C10H15N3O3S2 — CID 82749300

IUPAC2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCC1OCCC1N(C)c1nnc(SCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S2/c1-6-7(3-4-16-6)13(2)9-11-12-10(18-9)17-5-8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyXPEIOKWKPNTNIG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.33
Rot. Bonds5

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

2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 82749300) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID82749300
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCC1OCCC1N(C)c1nnc(SCC(=O)O)s1
InChIInChI=1S/C10H15N3O3S2/c1-6-7(3-4-16-6)13(2)9-11-12-10(18-9)17-5-8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyXPEIOKWKPNTNIG-UHFFFAOYSA-N
XLogP1.33
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid with MolForge

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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-[(2-methyloxolan-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 114106555
2-[[5-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 103190821
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
2-[[5-[2-ethoxyethyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 81061908
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697961
N-cyclopropyl-N-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 47142058
2-[[5-(oxan-4-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 43610450
1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 82754565
2-[[5-(oxane-4-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283764
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 58800883
ethyl 2-[2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 82745640

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 82749300) is 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is CC1OCCC1N(C)c1nnc(SCC(=O)O)s1.
What is the InChIKey of 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is XPEIOKWKPNTNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-6-7(3-4-16-6)13(2)9-11-12-10(18-9)17-5-8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[methyl-(2-methyloxolan-3-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 82749300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).