2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

C8H12N2O2S — CID 130670811

IUPAC2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(C(C)OC)n1
InChIInChI=1S/C8H12N2O2S/c1-5(12-3)8-10-6(4-13-8)7(11)9-2/h4-5H,1-3H3,(H,9,11)
InChIKeySTTSXMUOZKGYGY-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.21
Rot. Bonds3

About 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 130670811) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID130670811
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(C(C)OC)n1
InChIInChI=1S/C8H12N2O2S/c1-5(12-3)8-10-6(4-13-8)7(11)9-2/h4-5H,1-3H3,(H,9,11)
InChIKeySTTSXMUOZKGYGY-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119900142
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
methyl 2-[(1R)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 11378914
methyl 2-[(1S)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 10998411
2-(1-aminoethyl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 66389184
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 130670811) is 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(C(C)OC)n1.
What is the InChIKey of 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is STTSXMUOZKGYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(12-3)8-10-6(4-13-8)7(11)9-2/h4-5H,1-3H3,(H,9,11).
What are the key properties of 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130670811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).