N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

C7H12N2OS — CID 70250663

IUPACN-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCCC1CSC(NC(C)=O)=N1
InChIInChI=1S/C7H12N2OS/c1-3-6-4-11-7(9-6)8-5(2)10/h6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyMSLDUOAFTCSSLQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.00
Rot. Bonds1

About N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 70250663) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID70250663
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCCC1CSC(NC(C)=O)=N1
InChIInChI=1S/C7H12N2OS/c1-3-6-4-11-7(9-6)8-5(2)10/h6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyMSLDUOAFTCSSLQ-UHFFFAOYSA-N
XLogP1.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 70250663) is N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is CCC1CSC(NC(C)=O)=N1.
What is the InChIKey of N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is MSLDUOAFTCSSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-6-4-11-7(9-6)8-5(2)10/h6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 172.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 70250663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).