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

C17H21N3O4S — CID 16914887

IUPAC2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C17H21N3O4S/c1-23-10-8-20(9-11-24-2)16(22)14-12-25-17(18-14)19-15(21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)
InChIKeyJQAQWAUOHARSKT-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.13
Rot. Bonds9

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

2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 16914887) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID16914887
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C17H21N3O4S/c1-23-10-8-20(9-11-24-2)16(22)14-12-25-17(18-14)19-15(21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19,21)
InChIKeyJQAQWAUOHARSKT-UHFFFAOYSA-N
XLogP2.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16915037
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
3-[[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]propanoic acid
CID 42813689
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208483
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
2-anilino-N-(2-methoxyethyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813370
2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46113565
2-(4-fluoroanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46136247

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 16914887) is 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide is COCCN(CCOC)C(=O)c1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JQAQWAUOHARSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-10-8-20(9-11-24-2)16(22)14-12-25-17(18-14)19-15(21)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19,21).
What are the key properties of 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).