N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide

C12H10Cl2N2OS — CID 110695986

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1nccs1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-2-1-8(10(14)7-9)3-4-15-11(17)12-16-5-6-18-12/h1-2,5-7H,3-4H2,(H,15,17)
InChIKeyLBXXTNXUYHOODU-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 110695986) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID110695986
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1nccs1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-2-1-8(10(14)7-9)3-4-15-11(17)12-16-5-6-18-12/h1-2,5-7H,3-4H2,(H,15,17)
InChIKeyLBXXTNXUYHOODU-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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Related Compounds

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
N-[2-(2,4-dichlorophenyl)ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235630
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide (CID 110695986) is N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1nccs1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is LBXXTNXUYHOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-9-2-1-8(10(14)7-9)3-4-15-11(17)12-16-5-6-18-12/h1-2,5-7H,3-4H2,(H,15,17).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-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 N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110695986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).