N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H18N4O2S2 — CID 17414291

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)NCCc2ccccc2OC)s1
InChIInChI=1S/C14H18N4O2S2/c1-15-13-17-18-14(22-13)21-9-12(19)16-8-7-10-5-3-4-6-11(10)20-2/h3-6H,7-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyPEVLGFTYWOERJY-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.04
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 17414291) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID17414291
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)NCCc2ccccc2OC)s1
InChIInChI=1S/C14H18N4O2S2/c1-15-13-17-18-14(22-13)21-9-12(19)16-8-7-10-5-3-4-6-11(10)20-2/h3-6H,7-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyPEVLGFTYWOERJY-UHFFFAOYSA-N
XLogP2.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 17414291) is N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CNc1nnc(SCC(=O)NCCc2ccccc2OC)s1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PEVLGFTYWOERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-15-13-17-18-14(22-13)21-9-12(19)16-8-7-10-5-3-4-6-11(10)20-2/h3-6H,7-9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 17414291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).