2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide

C14H11Cl3N2OS — CID 9291140

IUPAC2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CCl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H11Cl3N2OS/c1-2-5-19(13(20)7-15)14-18-12(8-21-14)9-3-4-10(16)11(17)6-9/h2-4,6,8H,1,5,7H2
InChIKeyPZZKSRGAHWRMKA-UHFFFAOYSA-N
MW361.68 g/mol
LogP4.87
Rot. Bonds5

About 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide

2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide (PubChem CID 9291140) has the molecular formula C14H11Cl3N2OS and a molecular weight of 361.68 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
PubChem CID9291140
Molecular FormulaC14H11Cl3N2OS
Molecular Weight361.68 g/mol
Exact Mass359.97
IUPAC Name2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CCl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C14H11Cl3N2OS/c1-2-5-19(13(20)7-15)14-18-12(8-21-14)9-3-4-10(16)11(17)6-9/h2-4,6,8H,1,5,7H2
InChIKeyPZZKSRGAHWRMKA-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.68
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide (CID 9291140) is 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide is C=CCN(C(=O)CCl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?
The InChIKey is PZZKSRGAHWRMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2OS/c1-2-5-19(13(20)7-15)14-18-12(8-21-14)9-3-4-10(16)11(17)6-9/h2-4,6,8H,1,5,7H2.
What are the key properties of 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide?
2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide has a molecular weight of 361.68 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 9291140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).