N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C12H12Cl3N3OS — CID 19768541

IUPACN-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncsc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3OS.ClH/c13-7-1-2-9(14)8(5-7)11-10(17-6-19-11)12(18)16-4-3-15;/h1-2,5-6H,3-4,15H2,(H,16,18);1H
InChIKeyXQBZQJKYIHPTCO-UHFFFAOYSA-N
MW352.67 g/mol
LogP3.23
Rot. Bonds4

About N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 19768541) has the molecular formula C12H12Cl3N3OS and a molecular weight of 352.67 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID19768541
Molecular FormulaC12H12Cl3N3OS
Molecular Weight352.67 g/mol
Exact Mass350.98
IUPAC NameN-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncsc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3OS.ClH/c13-7-1-2-9(14)8(5-7)11-10(17-6-19-11)12(18)16-4-3-15;/h1-2,5-6H,3-4,15H2,(H,16,18);1H
InChIKeyXQBZQJKYIHPTCO-UHFFFAOYSA-N
XLogP3.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 19768541) is N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ncsc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is XQBZQJKYIHPTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS.ClH/c13-7-1-2-9(14)8(5-7)11-10(17-6-19-11)12(18)16-4-3-15;/h1-2,5-6H,3-4,15H2,(H,16,18);1H.
What are the key properties of N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 352.67 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 19768541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).