N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C18H23F2N3OS — CID 59338055

IUPACN-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2c(F)cccc2F)nc1C
InChIInChI=1S/C18H23F2N3OS/c1-5-23(6-2)11-10-22(4)18(24)16-12(3)21-17(25-16)15-13(19)8-7-9-14(15)20/h7-9H,5-6,10-11H2,1-4H3
InChIKeyGHUJXXLMQXMGHG-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59338055) has the molecular formula C18H23F2N3OS and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID59338055
Molecular FormulaC18H23F2N3OS
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2c(F)cccc2F)nc1C
InChIInChI=1S/C18H23F2N3OS/c1-5-23(6-2)11-10-22(4)18(24)16-12(3)21-17(25-16)15-13(19)8-7-9-14(15)20/h7-9H,5-6,10-11H2,1-4H3
InChIKeyGHUJXXLMQXMGHG-UHFFFAOYSA-N
XLogP3.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 59338541
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384
N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 143445165
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(3-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338265
N-[2-(diethylamino)ethyl]-N,4-dimethyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 59338611
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338363
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454
2-(4-fluorophenyl)-N,4-dimethyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 46440106

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 59338055) is N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2c(F)cccc2F)nc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GHUJXXLMQXMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3OS/c1-5-23(6-2)11-10-22(4)18(24)16-12(3)21-17(25-16)15-13(19)8-7-9-14(15)20/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2,6-difluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).