2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide

C17H20ClN3O4S — CID 16915037

IUPAC2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O4S/c1-24-9-7-21(8-10-25-2)16(23)14-11-26-17(19-14)20-15(22)12-3-5-13(18)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyGLXAGUTWBHJOAX-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.78
Rot. Bonds9

About 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 16915037) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID16915037
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN3O4S/c1-24-9-7-21(8-10-25-2)16(23)14-11-26-17(19-14)20-15(22)12-3-5-13(18)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyGLXAGUTWBHJOAX-UHFFFAOYSA-N
XLogP2.78
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[2-[[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5218584
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137274
2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46113565
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
2-(5-chloro-2-methylanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46137280
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
3-[[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]propanoic acid
CID 42813689

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 16915037) is 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide is COCCN(CCOC)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GLXAGUTWBHJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-24-9-7-21(8-10-25-2)16(23)14-11-26-17(19-14)20-15(22)12-3-5-13(18)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 397.88 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).