2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C17H21Cl2N3OS — CID 59337760

IUPAC2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H21Cl2N3OS/c1-4-22(5-2)9-8-20-16(23)15-11(3)21-17(24-15)13-7-6-12(18)10-14(13)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyFVSJPJSIUHUZJU-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.50
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59337760) has the molecular formula C17H21Cl2N3OS and a molecular weight of 386.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59337760
Molecular FormulaC17H21Cl2N3OS
Molecular Weight386.35 g/mol
Exact Mass385.08
IUPAC Name2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C17H21Cl2N3OS/c1-4-22(5-2)9-8-20-16(23)15-11(3)21-17(24-15)13-7-6-12(18)10-14(13)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyFVSJPJSIUHUZJU-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745206
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084315
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427144
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49319130
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 59337760) is 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)CCNC(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FVSJPJSIUHUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3OS/c1-4-22(5-2)9-8-20-16(23)15-11(3)21-17(24-15)13-7-6-12(18)10-14(13)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,23).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 386.35 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59337760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).