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

C12H7Cl2N3OS — CID 2118106

IUPAC2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)
InChIKeyUVZNRMKUEHJMJX-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.97
Rot. Bonds3

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

2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2118106) has the molecular formula C12H7Cl2N3OS and a molecular weight of 312.18 g/mol. Its IUPAC name is 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2118106
Molecular FormulaC12H7Cl2N3OS
Molecular Weight312.18 g/mol
Exact Mass310.97
IUPAC Name2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)
InChIKeyUVZNRMKUEHJMJX-UHFFFAOYSA-N
XLogP3.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 2118106) is 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is N#CCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UVZNRMKUEHJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18).
What are the key properties of 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 312.18 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2118106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).