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

C7H6Cl2N2OS — CID 540331

IUPACN-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C=C(Cl)Cl)cs1
InChIInChI=1S/C7H6Cl2N2OS/c1-4(12)10-7-11-5(3-13-7)2-6(8)9/h2-3H,1H3,(H,10,11,12)
InChIKeyWXVRSTBYPGEQHA-UHFFFAOYSA-N
MW237.11 g/mol
LogP2.88
Rot. Bonds2

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

N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 540331) has the molecular formula C7H6Cl2N2OS and a molecular weight of 237.11 g/mol. Its IUPAC name is N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID540331
Molecular FormulaC7H6Cl2N2OS
Molecular Weight237.11 g/mol
Exact Mass235.96
IUPAC NameN-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C=C(Cl)Cl)cs1
InChIInChI=1S/C7H6Cl2N2OS/c1-4(12)10-7-11-5(3-13-7)2-6(8)9/h2-3H,1H3,(H,10,11,12)
InChIKeyWXVRSTBYPGEQHA-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide (CID 540331) is N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C=C(Cl)Cl)cs1.
What is the InChIKey of N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WXVRSTBYPGEQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2OS/c1-4(12)10-7-11-5(3-13-7)2-6(8)9/h2-3H,1H3,(H,10,11,12).
What are the key properties of N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 237.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 540331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).