N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C16H21N3O2S2 — CID 5329666

IUPACN-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
InChIInChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)
InChIKeyLOQNAQWIGMNXII-UHFFFAOYSA-N
MW351.50 g/mol
LogP4.50
Rot. Bonds6

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

N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5329666) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID5329666
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
InChIInChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20)
InChIKeyLOQNAQWIGMNXII-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 5329666) is N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1.
What is the InChIKey of N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LOQNAQWIGMNXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-11(20)19-16-18-9-15(23-16)22-10-14-17-8-13(21-14)7-12-5-3-2-4-6-12/h8-9,12H,2-7,10H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).