3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide

C12H10Cl2N2OS — CID 59098162

IUPAC3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-9-10(18-16-11(9)14)12(17)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)
InChIKeyJPGOTHZJNVGGBG-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.42
Rot. Bonds4

About 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide

3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide (PubChem CID 59098162) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide
PubChem CID59098162
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2OS/c13-9-10(18-16-11(9)14)12(17)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)
InChIKeyJPGOTHZJNVGGBG-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide (CID 59098162) is 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide is O=C(NCCc1ccccc1)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide?
The InChIKey is JPGOTHZJNVGGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-9-10(18-16-11(9)14)12(17)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17).
What are the key properties of 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-phenylethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 59098162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).