2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

C19H21N5O2S2 — CID 1435317

IUPAC2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(Cc2csc(Nc3ccccc3)n2)o1)NC1CCCC1
InChIInChI=1S/C19H21N5O2S2/c25-16(20-13-8-4-5-9-13)12-28-19-24-23-17(26-19)10-15-11-27-18(22-15)21-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H,20,25)(H,21,22)
InChIKeyDJNWXBTYXNNUGU-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.01
Rot. Bonds8

About 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide (PubChem CID 1435317) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
PubChem CID1435317
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nnc(Cc2csc(Nc3ccccc3)n2)o1)NC1CCCC1
InChIInChI=1S/C19H21N5O2S2/c25-16(20-13-8-4-5-9-13)12-28-19-24-23-17(26-19)10-15-11-27-18(22-15)21-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H,20,25)(H,21,22)
InChIKeyDJNWXBTYXNNUGU-UHFFFAOYSA-N
XLogP4.01
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide with MolForge

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Related Compounds

cyclohexyl 2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1463396
2-[[5-[[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 647410
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7994631
N-cyclooctyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 84602597
N'-[2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7810350
N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7810425
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 27377986
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090
2-[[5-[(4-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylacetamide
CID 1151507
N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417737
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11881778

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide (CID 1435317) is 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide is O=C(CSc1nnc(Cc2csc(Nc3ccccc3)n2)o1)NC1CCCC1.
What is the InChIKey of 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
The InChIKey is DJNWXBTYXNNUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c25-16(20-13-8-4-5-9-13)12-28-19-24-23-17(26-19)10-15-11-27-18(22-15)21-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H,20,25)(H,21,22).
What are the key properties of 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide?
2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide has a molecular weight of 415.54 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-anilino-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 1435317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).