N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C14H11ClFN3OS — CID 118264346

IUPACN-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(F)cn2c1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H11ClFN3OS/c1-8-12(19-7-11(16)21-14(19)18-8)13(20)17-6-9-3-2-4-10(15)5-9/h2-5,7H,6H2,1H3,(H,17,20)
InChIKeyMKTOHMJXDZSAOF-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.43
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264346) has the molecular formula C14H11ClFN3OS and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264346
Molecular FormulaC14H11ClFN3OS
Molecular Weight323.78 g/mol
Exact Mass323.03
IUPAC NameN-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sc(F)cn2c1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H11ClFN3OS/c1-8-12(19-7-11(16)21-14(19)18-8)13(20)17-6-9-3-2-4-10(15)5-9/h2-5,7H,6H2,1H3,(H,17,20)
InChIKeyMKTOHMJXDZSAOF-UHFFFAOYSA-N
XLogP3.43
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][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-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264346) is N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sc(F)cn2c1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MKTOHMJXDZSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3OS/c1-8-12(19-7-11(16)21-14(19)18-8)13(20)17-6-9-3-2-4-10(15)5-9/h2-5,7H,6H2,1H3,(H,17,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-fluoro-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).