methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate

C11H20N4O2S2 — CID 63738371

IUPACmethyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CSc1nnc(N(C)C)s1)C(=O)OC
InChIInChI=1S/C11H20N4O2S2/c1-6-12-11(2,8(16)17-5)7-18-10-14-13-9(19-10)15(3)4/h12H,6-7H2,1-5H3
InChIKeyNAAACOSAXPDYIS-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.24
Rot. Bonds7

About methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate

methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate (PubChem CID 63738371) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate
PubChem CID63738371
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Namemethyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CSc1nnc(N(C)C)s1)C(=O)OC
InChIInChI=1S/C11H20N4O2S2/c1-6-12-11(2,8(16)17-5)7-18-10-14-13-9(19-10)15(3)4/h12H,6-7H2,1-5H3
InChIKeyNAAACOSAXPDYIS-UHFFFAOYSA-N
XLogP1.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate with MolForge

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Related Compounds

methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63736629
methyl 2-(ethylamino)-2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 113298748
methyl 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 63736986
ethyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63737842
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexanamide
CID 63738554
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide
CID 63738028
methyl 2-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylhexanoate
CID 63737323
ethyl 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentanoate
CID 63739260
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
methyl 2-bromo-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 81091198
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)hexanoic acid
CID 63739261
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-2-ol
CID 79165700

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate (CID 63738371) is methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CSc1nnc(N(C)C)s1)C(=O)OC.
What is the InChIKey of methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate?
The InChIKey is NAAACOSAXPDYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-6-12-11(2,8(16)17-5)7-18-10-14-13-9(19-10)15(3)4/h12H,6-7H2,1-5H3.
What are the key properties of methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate?
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate has a molecular weight of 304.44 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 63738371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).