N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide

C15H17N3O2S2 — CID 18554663

IUPACN-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)ns1)NCC1CCCO1
InChIInChI=1S/C15H17N3O2S2/c19-13(16-9-12-7-4-8-20-12)10-21-15-17-14(18-22-15)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,19)
InChIKeyLYOPXGMSFUBEIY-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.59
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide

N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 18554663) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID18554663
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)ns1)NCC1CCCO1
InChIInChI=1S/C15H17N3O2S2/c19-13(16-9-12-7-4-8-20-12)10-21-15-17-14(18-22-15)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,19)
InChIKeyLYOPXGMSFUBEIY-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 5067097
Ethyl 2-(2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 5183345
1-Morpholin-4-yl-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 7119247
Ethyl 2-[[2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]acetate
CID 7119349
N-((tetrahydrofuran-2-yl)methyl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571574
Ethyl 2-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 7119291
N-((tetrahydrofuran-2-yl)methyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 16188367
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3992086
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4409182
2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(tetrahydro-2-furanylmethyl)acetamide
CID 15978159
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 18228746
2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45952178

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 18554663) is N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)ns1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is LYOPXGMSFUBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c19-13(16-9-12-7-4-8-20-12)10-21-15-17-14(18-22-15)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,19).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 18554663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).