ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde

C8H16N2OS — CID 142566157

IUPACethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
SMILESC=O.CC.CCc1nnc(C)s1
InChIInChI=1S/C5H8N2S.C2H6.CH2O/c1-3-5-7-6-4(2)8-5;2*1-2/h3H2,1-2H3;1-2H3;1H2
InChIKeyNXSSQGBDEUQBHR-UHFFFAOYSA-N
MW188.30 g/mol
LogP2.25
Rot. Bonds1

About ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde

ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde (PubChem CID 142566157) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde.

Molecular Properties

Compound Nameethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
PubChem CID142566157
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Nameethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
SMILESC=O.CC.CCc1nnc(C)s1
InChIInChI=1S/C5H8N2S.C2H6.CH2O/c1-3-5-7-6-4(2)8-5;2*1-2/h3H2,1-2H3;1-2H3;1H2
InChIKeyNXSSQGBDEUQBHR-UHFFFAOYSA-N
XLogP2.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-one
CID 65208677
2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole
CID 145452066
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 110870268
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384
2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanethiol
CID 45123411
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
CID 110870149
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
CID 110870205
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
(5-methyl-1,3,4-thiadiazol-2-yl)methyl acetate
CID 130639064

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde?
The IUPAC name of ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde (CID 142566157) is ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde.
What is the SMILES notation for ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde?
The canonical SMILES for ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde is C=O.CC.CCc1nnc(C)s1.
What is the InChIKey of ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde?
The InChIKey is NXSSQGBDEUQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C2H6.CH2O/c1-3-5-7-6-4(2)8-5;2*1-2/h3H2,1-2H3;1-2H3;1H2.
What are the key properties of ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde?
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde has a molecular weight of 188.30 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde is sourced from PubChem (CID 142566157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).