2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide

C10H17N3OS2 — CID 82441798

IUPAC2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
SMILESCCN(CC)c1nc(COC)c(C(N)=S)s1
InChIInChI=1S/C10H17N3OS2/c1-4-13(5-2)10-12-7(6-14-3)8(16-10)9(11)15/h4-6H2,1-3H3,(H2,11,15)
InChIKeyKRUYYBBSUVPYOA-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.77
Rot. Bonds6

About 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide

2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82441798) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
PubChem CID82441798
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
SMILESCCN(CC)c1nc(COC)c(C(N)=S)s1
InChIInChI=1S/C10H17N3OS2/c1-4-13(5-2)10-12-7(6-14-3)8(16-10)9(11)15/h4-6H2,1-3H3,(H2,11,15)
InChIKeyKRUYYBBSUVPYOA-UHFFFAOYSA-N
XLogP1.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide 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

2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-cyclopropyl-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82440824
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-5-carbothioamide
CID 82440690
4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82439956
4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole-5-carbothioamide
CID 82440935
2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427335
4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide
CID 82441712
2-(diethylamino)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360442
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509465

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide (CID 82441798) is 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide is CCN(CC)c1nc(COC)c(C(N)=S)s1.
What is the InChIKey of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is KRUYYBBSUVPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-4-13(5-2)10-12-7(6-14-3)8(16-10)9(11)15/h4-6H2,1-3H3,(H2,11,15).
What are the key properties of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide?
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 259.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82441798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).