2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide

C16H13Cl2N3O2S — CID 112835127

IUPAC2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C16H13Cl2N3O2S/c1-9(23-10-4-5-11(17)12(18)7-10)15(22)21-16-20-14(8-24-16)13-3-2-6-19-13/h2-9,19H,1H3,(H,20,21,22)
InChIKeyPXXFZGAGIXWMFG-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.85
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide

2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 112835127) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID112835127
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C16H13Cl2N3O2S/c1-9(23-10-4-5-11(17)12(18)7-10)15(22)21-16-20-14(8-24-16)13-3-2-6-19-13/h2-9,19H,1H3,(H,20,21,22)
InChIKeyPXXFZGAGIXWMFG-UHFFFAOYSA-N
XLogP4.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide 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

(2R)-2-but-3-enoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 94211452
methyl 4-[2-[2-(4-chloro-3-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55824924
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7924820
(2R)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 27968639
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589
N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893897
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742139

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide (CID 112835127) is 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is PXXFZGAGIXWMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-9(23-10-4-5-11(17)12(18)7-10)15(22)21-16-20-14(8-24-16)13-3-2-6-19-13/h2-9,19H,1H3,(H,20,21,22).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide?
2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 382.27 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 112835127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).