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

C14H16Cl3N3OS — CID 120623940

IUPAC2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCCc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C14H15Cl2N3OS.ClH/c15-10-3-1-2-9(13(10)16)5-7-18-14(20)11-8-21-12(19-11)4-6-17;/h1-3,8H,4-7,17H2,(H,18,20);1H
InChIKeyYKMIECPMLHQGGW-UHFFFAOYSA-N
MW380.73 g/mol
LogP3.35
Rot. Bonds6

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

2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120623940) has the molecular formula C14H16Cl3N3OS and a molecular weight of 380.73 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120623940
Molecular FormulaC14H16Cl3N3OS
Molecular Weight380.73 g/mol
Exact Mass379.01
IUPAC Name2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCCc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C14H15Cl2N3OS.ClH/c15-10-3-1-2-9(13(10)16)5-7-18-14(20)11-8-21-12(19-11)4-6-17;/h1-3,8H,4-7,17H2,(H,18,20);1H
InChIKeyYKMIECPMLHQGGW-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.73
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
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N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623809
2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
2-(2-aminoethyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120623940) is 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NCCc2cccc(Cl)c2Cl)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is YKMIECPMLHQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS.ClH/c15-10-3-1-2-9(13(10)16)5-7-18-14(20)11-8-21-12(19-11)4-6-17;/h1-3,8H,4-7,17H2,(H,18,20);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 380.73 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).