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

C10H18N4O3S2 — CID 62844514

IUPAC2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCOCCN(C)CCNc1nnc(SCC(=O)O)s1
InChIInChI=1S/C10H18N4O3S2/c1-14(5-6-17-2)4-3-11-9-12-13-10(19-9)18-7-8(15)16/h3-7H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyQUAUPFJUGFMVGD-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.70
Rot. Bonds10

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

2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 62844514) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID62844514
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESCOCCN(C)CCNc1nnc(SCC(=O)O)s1
InChIInChI=1S/C10H18N4O3S2/c1-14(5-6-17-2)4-3-11-9-12-13-10(19-9)18-7-8(15)16/h3-7H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyQUAUPFJUGFMVGD-UHFFFAOYSA-N
XLogP0.70
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-[3-(methanesulfonamido)propylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 106339455
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 4819732
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
CID 113307080
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113307081
1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296
2-[[5-[2-(1,3-thiazol-4-yl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 63831920
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
CID 62848698
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55401943
2-[[5-(3,3-dimethylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61285334
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969674
N-(4-acetylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969830
N-ethyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 43036481

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 62844514) is 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is COCCN(C)CCNc1nnc(SCC(=O)O)s1.
What is the InChIKey of 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is QUAUPFJUGFMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c1-14(5-6-17-2)4-3-11-9-12-13-10(19-9)18-7-8(15)16/h3-7H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 306.41 g/mol, XLogP of 0.70, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 62844514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).