2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C16H16N4O2S — CID 70739356

IUPAC2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1nnc(CNC(=O)c2csc(Cc3ccccc3)n2)o1
InChIInChI=1S/C16H16N4O2S/c1-2-13-19-20-14(22-13)9-17-16(21)12-10-23-15(18-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,21)
InChIKeyGGXFTNLGRZUHNS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.61
Rot. Bonds6

About 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 70739356) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID70739356
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1nnc(CNC(=O)c2csc(Cc3ccccc3)n2)o1
InChIInChI=1S/C16H16N4O2S/c1-2-13-19-20-14(22-13)9-17-16(21)12-10-23-15(18-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,21)
InChIKeyGGXFTNLGRZUHNS-UHFFFAOYSA-N
XLogP2.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86950398
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 70720403
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 91773590
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 70748676

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 70739356) is 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is CCc1nnc(CNC(=O)c2csc(Cc3ccccc3)n2)o1.
What is the InChIKey of 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GGXFTNLGRZUHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-13-19-20-14(22-13)9-17-16(21)12-10-23-15(18-12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,21).
What are the key properties of 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70739356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).