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

C15H20ClN3OS — CID 120633662

IUPAC2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(CCNC(=O)c2csc(CCN)n2)cc1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-11-2-4-12(5-3-11)7-9-17-15(19)13-10-20-14(18-13)6-8-16;/h2-5,10H,6-9,16H2,1H3,(H,17,19);1H
InChIKeyACMCAETZCCOGCB-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.35
Rot. Bonds6

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

2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120633662) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120633662
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(CCNC(=O)c2csc(CCN)n2)cc1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-11-2-4-12(5-3-11)7-9-17-15(19)13-10-20-14(18-13)6-8-16;/h2-5,10H,6-9,16H2,1H3,(H,17,19);1H
InChIKeyACMCAETZCCOGCB-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide
CID 120618495
2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389914
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120630795
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-[[4-(butylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623733
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-[4-(4-nitrophenyl)butyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631578

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120633662) is 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccc(CCNC(=O)c2csc(CCN)n2)cc1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is ACMCAETZCCOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-11-2-4-12(5-3-11)7-9-17-15(19)13-10-20-14(18-13)6-8-16;/h2-5,10H,6-9,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 2.35, 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-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).