N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

C11H8Cl2N2OS — CID 4542330

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H8Cl2N2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyKQRLIWILHIFHRX-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.08
Rot. Bonds2

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4542330) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4542330
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H8Cl2N2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyKQRLIWILHIFHRX-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 4542330) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KQRLIWILHIFHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 287.17 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4542330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).