N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide

C13H15N3OS2 — CID 15529557

IUPACN-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide
SMILESCCSc1nn(CC)/c(=N\C(=O)c2ccccc2)s1
InChIInChI=1S/C13H15N3OS2/c1-3-16-12(19-13(15-16)18-4-2)14-11(17)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b14-12+
InChIKeyBJTFXZFSOOZFIO-WYMLVPIESA-N
MW293.42 g/mol
LogP2.82
Rot. Bonds4

About N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide

N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide (PubChem CID 15529557) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide
PubChem CID15529557
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide
SMILESCCSc1nn(CC)/c(=N\C(=O)c2ccccc2)s1
InChIInChI=1S/C13H15N3OS2/c1-3-16-12(19-13(15-16)18-4-2)14-11(17)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b14-12+
InChIKeyBJTFXZFSOOZFIO-WYMLVPIESA-N
XLogP2.82
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
2-(dimethylcarbamoylimino)-5-ethylsulfanyl-1,3,4-thiadiazole-3-carboxylic acid
CID 154417538
methyl (2Z)-5-ethylsulfanyl-2-methoxycarbonylimino-1,3,4-thiadiazole-3-carboxylate
CID 126843861
2-[2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 3640298
4-benzoyl-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979739
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylphenyl)acetamide
CID 7692187
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277
methyl 2-[2-(4-ethylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40697559
N-[5-acetyl-3-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
CID 4549044
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125927
N-(1-hydroxy-4-pyridinylidene)benzamide
CID 121008000
methyl 4-[(3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 4638674

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide?
The IUPAC name of N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide (CID 15529557) is N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide?
The canonical SMILES for N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide is CCSc1nn(CC)/c(=N\C(=O)c2ccccc2)s1.
What is the InChIKey of N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide?
The InChIKey is BJTFXZFSOOZFIO-WYMLVPIESA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-3-16-12(19-13(15-16)18-4-2)14-11(17)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/b14-12+.
What are the key properties of N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide?
N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide has a molecular weight of 293.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-ethylsulfanyl-1,3,4-thiadiazol-2-ylidene)benzamide is sourced from PubChem (CID 15529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).