N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C13H15N3OS2 — CID 41312659

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)CSc1nncs1
InChIInChI=1S/C13H15N3OS2/c1-9-5-3-4-6-11(9)10(2)15-12(17)7-18-13-16-14-8-19-13/h3-6,8,10H,7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyZVRUXXNOQKVSLK-JTQLQIEISA-N
MW293.42 g/mol
LogP2.82
Rot. Bonds5

About N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 41312659) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID41312659
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)CSc1nncs1
InChIInChI=1S/C13H15N3OS2/c1-9-5-3-4-6-11(9)10(2)15-12(17)7-18-13-16-14-8-19-13/h3-6,8,10H,7H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyZVRUXXNOQKVSLK-JTQLQIEISA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-naphthalen-1-ylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42897579
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 40749914
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42885562
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18097647
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8953766
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499952
2-[(3-amino-4-pyridinyl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43299539
N-[(1R)-1-(2-methylphenyl)ethyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40820149
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140242
N-(2-benzylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7474594
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 41312659) is N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1ccccc1[C@H](C)NC(=O)CSc1nncs1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is ZVRUXXNOQKVSLK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9-5-3-4-6-11(9)10(2)15-12(17)7-18-13-16-14-8-19-13/h3-6,8,10H,7H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 293.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 41312659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).