N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide

C18H19FN4O2S — CID 167732394

IUPACN-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cnc(/C=C2\C(=O)Nc3ccc(F)cc32)s1
InChIInChI=1S/C18H19FN4O2S/c1-22(2)6-7-23(3)18(25)15-10-20-16(26-15)9-13-12-8-11(19)4-5-14(12)21-17(13)24/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)/b13-9-
InChIKeySGHZODXCLAJZLF-LCYFTJDESA-N
MW374.44 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167732394) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID167732394
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCN(C)C(=O)c1cnc(/C=C2\C(=O)Nc3ccc(F)cc32)s1
InChIInChI=1S/C18H19FN4O2S/c1-22(2)6-7-23(3)18(25)15-10-20-16(26-15)9-13-12-8-11(19)4-5-14(12)21-17(13)24/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)/b13-9-
InChIKeySGHZODXCLAJZLF-LCYFTJDESA-N
XLogP2.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 167732394) is N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(C)CCN(C)C(=O)c1cnc(/C=C2\C(=O)Nc3ccc(F)cc32)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SGHZODXCLAJZLF-LCYFTJDESA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-22(2)6-7-23(3)18(25)15-10-20-16(26-15)9-13-12-8-11(19)4-5-14(12)21-17(13)24/h4-5,8-10H,6-7H2,1-3H3,(H,21,24)/b13-9-.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167732394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).