2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

C17H21ClN4O3S — CID 42814356

IUPAC2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C17H21ClN4O3S/c1-11-4-5-12(18)8-13(11)20-17-21-14(10-26-17)16(24)22(2)9-15(23)19-6-7-25-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyBATYSWTVLIUVMJ-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.68
Rot. Bonds8

About 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42814356) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID42814356
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C17H21ClN4O3S/c1-11-4-5-12(18)8-13(11)20-17-21-14(10-26-17)16(24)22(2)9-15(23)19-6-7-25-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyBATYSWTVLIUVMJ-UHFFFAOYSA-N
XLogP2.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137274
2-(5-chloro-2-methylanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46137280
2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42814219
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696912
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60707787
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 83281447
methyl 2-(4-chloro-2-methylanilino)-1,3-thiazole-4-carboxylate
CID 114256663
N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 42814356) is 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is COCCNC(=O)CN(C)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BATYSWTVLIUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-11-4-5-12(18)8-13(11)20-17-21-14(10-26-17)16(24)22(2)9-15(23)19-6-7-25-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42814356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).