N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide

C13H11Cl3N2O2S — CID 145420168

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)c(Cl)c1)Nc1ncc(Cl)s1
InChIInChI=1S/C13H11Cl3N2O2S/c14-9-4-3-8(6-10(9)15)20-5-1-2-12(19)18-13-17-7-11(16)21-13/h3-4,6-7H,1-2,5H2,(H,17,18,19)
InChIKeyLPTNDYIJQHJNTF-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.90
Rot. Bonds6

About N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide

N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide (PubChem CID 145420168) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide
PubChem CID145420168
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(Cl)c(Cl)c1)Nc1ncc(Cl)s1
InChIInChI=1S/C13H11Cl3N2O2S/c14-9-4-3-8(6-10(9)15)20-5-1-2-12(19)18-13-17-7-11(16)21-13/h3-4,6-7H,1-2,5H2,(H,17,18,19)
InChIKeyLPTNDYIJQHJNTF-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(4-chloro-3-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 2673049
N-(5-chlorothiazol-2-yl)-4-phenoxy-butanamide
CID 145420084
4-(3-chloro-4-methyl-phenoxy)-N-(5-chlorothiazol-2-yl)butanamide
CID 145420105
4-(3-chlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420134
N-(5-bromothiazol-2-yl)-4-phenoxy-butanamide
CID 145420139
HIV-1 inhibitor-36
CID 145420166
N-(5-bromothiazol-2-yl)-4-(4-chloro-3-methyl-phenoxy)butanamide
CID 145420176
4-(3,4-dichlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420185
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2899080

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide (CID 145420168) is N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide is O=C(CCCOc1ccc(Cl)c(Cl)c1)Nc1ncc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide?
The InChIKey is LPTNDYIJQHJNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c14-9-4-3-8(6-10(9)15)20-5-1-2-12(19)18-13-17-7-11(16)21-13/h3-4,6-7H,1-2,5H2,(H,17,18,19).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide has a molecular weight of 365.67 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 145420168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).