5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide

C8H12N2O2S — CID 123238714

IUPAC5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)C)ns1
InChIInChI=1S/C8H12N2O2S/c1-10(2)8(11)7-4-6(5-12-3)13-9-7/h4H,5H2,1-3H3
InChIKeyUNXNHYGKJQEUOT-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.99
Rot. Bonds3

About 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide

5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide (PubChem CID 123238714) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide
PubChem CID123238714
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)C)ns1
InChIInChI=1S/C8H12N2O2S/c1-10(2)8(11)7-4-6(5-12-3)13-9-7/h4H,5H2,1-3H3
InChIKeyUNXNHYGKJQEUOT-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide (CID 123238714) is 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide is COCc1cc(C(=O)N(C)C)ns1.
What is the InChIKey of 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide?
The InChIKey is UNXNHYGKJQEUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-10(2)8(11)7-4-6(5-12-3)13-9-7/h4H,5H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide?
5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N,N-dimethyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 123238714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).