N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide

C14H15ClFN3OS2 — CID 59580458

IUPACN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide
SMILESCCN(C(=O)CCSC)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C14H15ClFN3OS2/c1-3-19(11(20)4-5-21-2)14-12(15)18-13(22-14)9-6-10(16)8-17-7-9/h6-8H,3-5H2,1-2H3
InChIKeyXISKKWVLNLHVRN-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.10
Rot. Bonds6

About N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide

N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide (PubChem CID 59580458) has the molecular formula C14H15ClFN3OS2 and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide
PubChem CID59580458
Molecular FormulaC14H15ClFN3OS2
Molecular Weight359.88 g/mol
Exact Mass359.03
IUPAC NameN-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide
SMILESCCN(C(=O)CCSC)c1sc(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C14H15ClFN3OS2/c1-3-19(11(20)4-5-21-2)14-12(15)18-13(22-14)9-6-10(16)8-17-7-9/h6-8H,3-5H2,1-2H3
InChIKeyXISKKWVLNLHVRN-UHFFFAOYSA-N
XLogP4.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide 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-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide (CID 59580458) is N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide is CCN(C(=O)CCSC)c1sc(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide?
The InChIKey is XISKKWVLNLHVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3OS2/c1-3-19(11(20)4-5-21-2)14-12(15)18-13(22-14)9-6-10(16)8-17-7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide?
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide has a molecular weight of 359.88 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).