N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide

C8H12N2O2S — CID 157037131

IUPACN-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide
SMILESCOc1cc(C(C)NC(C)=O)sn1
InChIInChI=1S/C8H12N2O2S/c1-5(9-6(2)11)7-4-8(12-3)10-13-7/h4-5H,1-3H3,(H,9,11)
InChIKeyUXPPFNNXYVIOTC-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.35
Rot. Bonds3

About N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide

N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide (PubChem CID 157037131) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide
PubChem CID157037131
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide
SMILESCOc1cc(C(C)NC(C)=O)sn1
InChIInChI=1S/C8H12N2O2S/c1-5(9-6(2)11)7-4-8(12-3)10-13-7/h4-5H,1-3H3,(H,9,11)
InChIKeyUXPPFNNXYVIOTC-UHFFFAOYSA-N
XLogP1.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide (CID 157037131) is N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide is COc1cc(C(C)NC(C)=O)sn1.
What is the InChIKey of N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide?
The InChIKey is UXPPFNNXYVIOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(9-6(2)11)7-4-8(12-3)10-13-7/h4-5H,1-3H3,(H,9,11).
What are the key properties of N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide?
N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide has a molecular weight of 200.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 157037131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).