N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide

C8H12N2O2S — CID 157037635

IUPACN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(C)=O)sn1
InChIInChI=1S/C8H12N2O2S/c1-6(11)10(2)5-7-4-8(12-3)9-13-7/h4H,5H2,1-3H3
InChIKeyPTZXGPQJJNEMRN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.13
Rot. Bonds3

About N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide

N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide (PubChem CID 157037635) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
PubChem CID157037635
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide
SMILESCOc1cc(CN(C)C(C)=O)sn1
InChIInChI=1S/C8H12N2O2S/c1-6(11)10(2)5-7-4-8(12-3)9-13-7/h4H,5H2,1-3H3
InChIKeyPTZXGPQJJNEMRN-UHFFFAOYSA-N
XLogP1.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide (CID 157037635) is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide is COc1cc(CN(C)C(C)=O)sn1.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is PTZXGPQJJNEMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(11)10(2)5-7-4-8(12-3)9-13-7/h4H,5H2,1-3H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide?
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 200.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 157037635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).