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

C12H10Cl2N2OS — CID 70245298

IUPAC3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide
SMILESCC(NC(=O)c1snc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C12H10Cl2N2OS/c1-7(8-5-3-2-4-6-8)15-12(17)10-9(13)11(14)16-18-10/h2-7H,1H3,(H,15,17)
InChIKeyNIBWJNLGOBAKJT-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.94
Rot. Bonds3

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

3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide (PubChem CID 70245298) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide
PubChem CID70245298
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide
SMILESCC(NC(=O)c1snc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C12H10Cl2N2OS/c1-7(8-5-3-2-4-6-8)15-12(17)10-9(13)11(14)16-18-10/h2-7H,1H3,(H,15,17)
InChIKeyNIBWJNLGOBAKJT-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
CID 70903593
3,4-dichloro-N-[cyano(phenyl)methyl]-1,2-thiazole-5-carboxamide
CID 54115728
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(1S)-1-phenylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 95182977
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
CID 53331402
3-methyl-5-(methylamino)-N-[(1S)-1-phenylethyl]-1,2-thiazole-4-carboxamide
CID 34676266
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide (CID 70245298) is 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide is CC(NC(=O)c1snc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide?
The InChIKey is NIBWJNLGOBAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7(8-5-3-2-4-6-8)15-12(17)10-9(13)11(14)16-18-10/h2-7H,1H3,(H,15,17).
What are the key properties of 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 70245298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).