N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide

C8H12N2O2S — CID 70669442

IUPACN-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCOCCNC(=O)c1ncc(C)s1
InChIInChI=1S/C8H12N2O2S/c1-6-5-10-8(13-6)7(11)9-3-4-12-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyADRBASDKIWGBDI-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.83
Rot. Bonds4

About N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide

N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 70669442) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID70669442
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCOCCNC(=O)c1ncc(C)s1
InChIInChI=1S/C8H12N2O2S/c1-6-5-10-8(13-6)7(11)9-3-4-12-2/h5H,3-4H2,1-2H3,(H,9,11)
InChIKeyADRBASDKIWGBDI-UHFFFAOYSA-N
XLogP0.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide
CID 75522358
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86812016
5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 70669497
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 104213898
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112697351
N-ethyl-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 150180586
N-(1-hydroxy-4-methoxybutan-2-yl)-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 154772118
4-(2-methoxyethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 119044446
N-(2-hydroxyethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 20060256
2-[(5-Methyl-1,3-thiazole-2-carbonyl)amino]ethyl nitrate
CID 20060286

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide (CID 70669442) is N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide is COCCNC(=O)c1ncc(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is ADRBASDKIWGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-5-10-8(13-6)7(11)9-3-4-12-2/h5H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide?
N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70669442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).