N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C17H15N3O2S2 — CID 55536744

IUPACN-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1csc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C17H15N3O2S2/c21-15(12-5-2-1-3-6-12)18-8-9-19-16(22)13-11-24-17(20-13)14-7-4-10-23-14/h1-7,10-11H,8-9H2,(H,18,21)(H,19,22)
InChIKeyFVRYAEIJQTXGJH-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.03
Rot. Bonds6

About N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55536744) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55536744
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1csc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C17H15N3O2S2/c21-15(12-5-2-1-3-6-12)18-8-9-19-16(22)13-11-24-17(20-13)14-7-4-10-23-14/h1-7,10-11H,8-9H2,(H,18,21)(H,19,22)
InChIKeyFVRYAEIJQTXGJH-UHFFFAOYSA-N
XLogP3.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.03
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

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 115620129
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
4-hydroxy-N-[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzamide
CID 60517349
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554
(2S)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanedioic acid
CID 112733132
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70756855
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 55536744) is N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCCNC(=O)c1csc(-c2cccs2)n1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FVRYAEIJQTXGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c21-15(12-5-2-1-3-6-12)18-8-9-19-16(22)13-11-24-17(20-13)14-7-4-10-23-14/h1-7,10-11H,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55536744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).