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

C17H24N4O2S2 — CID 37286262

IUPACN-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(Cc2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)cs1
InChIInChI=1S/C17H24N4O2S2/c1-11-4-6-14(7-5-11)21(3)16(22)10-25-17-20-19-15(23-17)8-13-9-24-12(2)18-13/h9,11,14H,4-8,10H2,1-3H3
InChIKeyBCPGIEFOODMSJM-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.55
Rot. Bonds6

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

N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 37286262) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID37286262
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(Cc2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)cs1
InChIInChI=1S/C17H24N4O2S2/c1-11-4-6-14(7-5-11)21(3)16(22)10-25-17-20-19-15(23-17)8-13-9-24-12(2)18-13/h9,11,14H,4-8,10H2,1-3H3
InChIKeyBCPGIEFOODMSJM-UHFFFAOYSA-N
XLogP3.55
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-N-ethyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 84603340
N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7810425
1-(4-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 31801924
N-(cyanomethyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 29432768
2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7810552
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 37286364
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 47095095
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7810595
N-[4-[2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]propanamide
CID 7810477
(2R)-N-cyclopropyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7810568
N'-[2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7810350
1-(3-methyl-1-benzofuran-2-yl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 17448748

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 37286262) is N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1nc(Cc2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)cs1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BCPGIEFOODMSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-11-4-6-14(7-5-11)21(3)16(22)10-25-17-20-19-15(23-17)8-13-9-24-12(2)18-13/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 37286262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).