ethane;N-(1,3-thiazol-2-ylmethyl)acetamide

C8H14N2OS — CID 177244063

IUPACethane;N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC.CC(=O)NCc1nccs1
InChIInChI=1S/C6H8N2OS.C2H6/c1-5(9)8-4-6-7-2-3-10-6;1-2/h2-3H,4H2,1H3,(H,8,9);1-2H3
InChIKeyFXTADJBIVCXJAV-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.81
Rot. Bonds2

About ethane;N-(1,3-thiazol-2-ylmethyl)acetamide

ethane;N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 177244063) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is ethane;N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Nameethane;N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID177244063
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Nameethane;N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC.CC(=O)NCc1nccs1
InChIInChI=1S/C6H8N2OS.C2H6/c1-5(9)8-4-6-7-2-3-10-6;1-2/h2-3H,4H2,1H3,(H,8,9);1-2H3
InChIKeyFXTADJBIVCXJAV-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
2-amino-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
CID 61284260
N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
CID 63655785
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82102676

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of ethane;N-(1,3-thiazol-2-ylmethyl)acetamide (CID 177244063) is ethane;N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for ethane;N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for ethane;N-(1,3-thiazol-2-ylmethyl)acetamide is CC.CC(=O)NCc1nccs1.
What is the InChIKey of ethane;N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is FXTADJBIVCXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.C2H6/c1-5(9)8-4-6-7-2-3-10-6;1-2/h2-3H,4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-(1,3-thiazol-2-ylmethyl)acetamide?
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 186.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 177244063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).