N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

C15H19N3O2S2 — CID 22971369

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)C3CCCC3)s2)o1
InChIInChI=1S/C15H19N3O2S2/c1-2-11-7-16-12(20-11)9-21-13-8-17-15(22-13)18-14(19)10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18,19)
InChIKeyJDYZMGZLNOTVHR-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.11
Rot. Bonds6

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 22971369) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID22971369
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)C3CCCC3)s2)o1
InChIInChI=1S/C15H19N3O2S2/c1-2-11-7-16-12(20-11)9-21-13-8-17-15(22-13)18-14(19)10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18,19)
InChIKeyJDYZMGZLNOTVHR-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 89317200
N-[5-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide;propane
CID 91601013
1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea
CID 22970860
2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 22971008
2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
CID 22970918
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
CID 22971290
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide
CID 22971276
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 22971264
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 170952739
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
CID 22971268
5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 22971176
2-[2-[[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-hydroxybenzeneamine oxide
CID 163572889

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 22971369) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide is CCc1cnc(CSc2cnc(NC(=O)C3CCCC3)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is JDYZMGZLNOTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-2-11-7-16-12(20-11)9-21-13-8-17-15(22-13)18-14(19)10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,17,18,19).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 22971369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).