N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C21H30N4O2S2 — CID 24669892

IUPACN,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)s1
InChIInChI=1S/C21H30N4O2S2/c1-14-19(29-15(2)22-14)20-23-24-21(27-20)28-13-18(26)25(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h16-17H,3-13H2,1-2H3
InChIKeyJWOWJPRHWZOTAS-UHFFFAOYSA-N
MW434.63 g/mol
LogP5.40
Rot. Bonds6

About N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24669892) has the molecular formula C21H30N4O2S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID24669892
Molecular FormulaC21H30N4O2S2
Molecular Weight434.63 g/mol
Exact Mass434.18
IUPAC NameN,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)s1
InChIInChI=1S/C21H30N4O2S2/c1-14-19(29-15(2)22-14)20-23-24-21(27-20)28-13-18(26)25(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h16-17H,3-13H2,1-2H3
InChIKeyJWOWJPRHWZOTAS-UHFFFAOYSA-N
XLogP5.40
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 24669892) is N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1nc(C)c(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)s1.
What is the InChIKey of N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JWOWJPRHWZOTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S2/c1-14-19(29-15(2)22-14)20-23-24-21(27-20)28-13-18(26)25(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h16-17H,3-13H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 434.63 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24669892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).