2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide

C7H12N2O2S — CID 90101941

IUPAC2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C1=CSC(C)(OC)N1
InChIInChI=1S/C7H12N2O2S/c1-7(11-3)9-5(4-12-7)6(10)8-2/h4,9H,1-3H3,(H,8,10)
InChIKeyVYTGFGLGIDTOOZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.23
Rot. Bonds2

About 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide

2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide (PubChem CID 90101941) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide
PubChem CID90101941
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide
SMILESCNC(=O)C1=CSC(C)(OC)N1
InChIInChI=1S/C7H12N2O2S/c1-7(11-3)9-5(4-12-7)6(10)8-2/h4,9H,1-3H3,(H,8,10)
InChIKeyVYTGFGLGIDTOOZ-UHFFFAOYSA-N
XLogP0.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide (CID 90101941) is 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide is CNC(=O)C1=CSC(C)(OC)N1.
What is the InChIKey of 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide?
The InChIKey is VYTGFGLGIDTOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-7(11-3)9-5(4-12-7)6(10)8-2/h4,9H,1-3H3,(H,8,10).
What are the key properties of 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide?
2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide has a molecular weight of 188.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90101941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).