N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H20N4O3S2 — CID 1281802

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cnc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)s1
InChIInChI=1S/C19H20N4O3S2/c1-12-9-20-18(28-12)21-16(24)11-27-19-23-22-17(26-19)10-25-15-7-6-13-4-2-3-5-14(13)8-15/h6-9H,2-5,10-11H2,1H3,(H,20,21,24)
InChIKeyXUKZXELSDQMIER-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.02
Rot. Bonds7

About N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1281802) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1281802
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cnc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)s1
InChIInChI=1S/C19H20N4O3S2/c1-12-9-20-18(28-12)21-16(24)11-27-19-23-22-17(26-19)10-25-15-7-6-13-4-2-3-5-14(13)8-15/h6-9H,2-5,10-11H2,1H3,(H,20,21,24)
InChIKeyXUKZXELSDQMIER-UHFFFAOYSA-N
XLogP4.02
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678142
2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 664166
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1276990
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1315581
2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3624109
N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4542974
2-[[4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1021210
2-({4-ethyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2213751
2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 4264883
2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1307924
N-(5-nitro-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 145956191
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1281026

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1281802) is N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cnc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is XUKZXELSDQMIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-12-9-20-18(28-12)21-16(24)11-27-19-23-22-17(26-19)10-25-15-7-6-13-4-2-3-5-14(13)8-15/h6-9H,2-5,10-11H2,1H3,(H,20,21,24).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1281802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).