ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide

C11H22N2OS — CID 178152242

IUPACethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCC.CC.CC(=O)N(C)Cc1cscn1
InChIInChI=1S/C7H10N2OS.2C2H6/c1-6(10)9(2)3-7-4-11-5-8-7;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyHJAOOFAXFVKJQF-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.17
Rot. Bonds2

About ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide

ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 178152242) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID178152242
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Nameethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCC.CC.CC(=O)N(C)Cc1cscn1
InChIInChI=1S/C7H10N2OS.2C2H6/c1-6(10)9(2)3-7-4-11-5-8-7;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyHJAOOFAXFVKJQF-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide 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-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
N,N-dimethyl-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 40161394
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 48110218
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53515031
2-(Methylsulfanyl)-1-{4-[(1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl}propan-1-one
CID 53603923
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one
CID 53624116
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3,3,3-trifluoropropan-1-one
CID 53625624
2-Methylsulfanyl-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 56824066
N,N,1-trimethyl-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-6-carboxamide
CID 118740407
1-{4-[(4-Methyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-1-ethanone
CID 29697744
1-[4-[(4-Methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 29697849

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 178152242) is ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide is CC.CC.CC(=O)N(C)Cc1cscn1.
What is the InChIKey of ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is HJAOOFAXFVKJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS.2C2H6/c1-6(10)9(2)3-7-4-11-5-8-7;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 230.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 178152242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).