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

C18H23ClFN3OS — CID 59338384

IUPAC2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2ccc(F)c(Cl)c2)nc1C
InChIInChI=1S/C18H23ClFN3OS/c1-5-23(6-2)10-9-22(4)18(24)16-12(3)21-17(25-16)13-7-8-15(20)14(19)11-13/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyIVSCBIJHVZVBQS-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.32
Rot. Bonds7

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

2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59338384) has the molecular formula C18H23ClFN3OS and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID59338384
Molecular FormulaC18H23ClFN3OS
Molecular Weight383.92 g/mol
Exact Mass383.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2ccc(F)c(Cl)c2)nc1C
InChIInChI=1S/C18H23ClFN3OS/c1-5-23(6-2)10-9-22(4)18(24)16-12(3)21-17(25-16)13-7-8-15(20)14(19)11-13/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyIVSCBIJHVZVBQS-UHFFFAOYSA-N
XLogP4.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 59338384) is 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(F)c(Cl)c2)nc1C.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IVSCBIJHVZVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3OS/c1-5-23(6-2)10-9-22(4)18(24)16-12(3)21-17(25-16)13-7-8-15(20)14(19)11-13/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 383.92 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).