2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide

C15H19N3OS2 — CID 120618495

IUPAC2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(SCCNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H19N3OS2/c1-11-2-4-12(5-3-11)20-9-8-17-15(19)13-10-21-14(18-13)6-7-16/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyRWGFJJGLULABQY-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.47
Rot. Bonds7

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

2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120618495) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide
PubChem CID120618495
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(SCCNC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H19N3OS2/c1-11-2-4-12(5-3-11)20-9-8-17-15(19)13-10-21-14(18-13)6-7-16/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyRWGFJJGLULABQY-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624690
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
2-(2-aminoethyl)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66388361
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide (CID 120618495) is 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide is Cc1ccc(SCCNC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RWGFJJGLULABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-11-2-4-12(5-3-11)20-9-8-17-15(19)13-10-21-14(18-13)6-7-16/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120618495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).