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

C14H15N3O2S2 — CID 78765240

IUPACN-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2nnc(C)s2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-8(20-14-17-16-10(3)21-14)13(19)11-4-6-12(7-5-11)15-9(2)18/h4-8H,1-3H3,(H,15,18)
InChIKeyGILGQVWXGDNWBI-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.17
Rot. Bonds5

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

N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide (PubChem CID 78765240) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
PubChem CID78765240
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2nnc(C)s2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-8(20-14-17-16-10(3)21-14)13(19)11-4-6-12(7-5-11)15-9(2)18/h4-8H,1-3H3,(H,15,18)
InChIKeyGILGQVWXGDNWBI-UHFFFAOYSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]-2-methylpropanamide
CID 9457650
(2R)-N-(4-acetylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 834126
N-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]phenyl]-2-methylpropanamide
CID 51236859
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51141770
(2S)-N-(3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890282
(2S)-N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2458536
2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
CID 17442157
N-[4-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]acetamide
CID 84603954
(2S)-1-(4-chlorophenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7754379
(2R)-1-(4-chlorophenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 7754380
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide (CID 78765240) is N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)Sc2nnc(C)s2)cc1.
What is the InChIKey of N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
The InChIKey is GILGQVWXGDNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-8(20-14-17-16-10(3)21-14)13(19)11-4-6-12(7-5-11)15-9(2)18/h4-8H,1-3H3,(H,15,18).
What are the key properties of N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide?
N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]acetamide is sourced from PubChem (CID 78765240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).