N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide

C15H14ClFN2OS — CID 78318593

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCCc2ncsc21
InChIInChI=1S/C15H14ClFN2OS/c16-12-6-10(17)5-4-9(12)7-18-15(20)11-2-1-3-13-14(11)21-8-19-13/h4-6,8,11H,1-3,7H2,(H,18,20)
InChIKeyAEDGVFFBFWDZGK-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.67
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide (PubChem CID 78318593) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
PubChem CID78318593
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCCc2ncsc21
InChIInChI=1S/C15H14ClFN2OS/c16-12-6-10(17)5-4-9(12)7-18-15(20)11-2-1-3-13-14(11)21-8-19-13/h4-6,8,11H,1-3,7H2,(H,18,20)
InChIKeyAEDGVFFBFWDZGK-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-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-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide (CID 78318593) is N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCCc2ncsc21.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
The InChIKey is AEDGVFFBFWDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-12-6-10(17)5-4-9(12)7-18-15(20)11-2-1-3-13-14(11)21-8-19-13/h4-6,8,11H,1-3,7H2,(H,18,20).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 78318593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).