2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H17N3OS3 — CID 17321459

IUPAC2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(CSc2ccccc2)s1
InChIInChI=1S/C18H17N3OS3/c1-2-23-15-11-7-6-10-14(15)17(22)19-18-21-20-16(25-18)12-24-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyHVQFLPIWLPILLO-UHFFFAOYSA-N
MW387.56 g/mol
LogP5.19
Rot. Bonds7

About 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17321459) has the molecular formula C18H17N3OS3 and a molecular weight of 387.56 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID17321459
Molecular FormulaC18H17N3OS3
Molecular Weight387.56 g/mol
Exact Mass387.05
IUPAC Name2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(CSc2ccccc2)s1
InChIInChI=1S/C18H17N3OS3/c1-2-23-15-11-7-6-10-14(15)17(22)19-18-21-20-16(25-18)12-24-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyHVQFLPIWLPILLO-UHFFFAOYSA-N
XLogP5.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 1230832
(2S)-2-chloro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732755
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
2-ethylsulfanyl-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193614
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36859277
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-propylsulfanylbenzamide
CID 17310510
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34114329
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55432910
1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1385139

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 17321459) is 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide is CCSc1ccccc1C(=O)Nc1nnc(CSc2ccccc2)s1.
What is the InChIKey of 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HVQFLPIWLPILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS3/c1-2-23-15-11-7-6-10-14(15)17(22)19-18-21-20-16(25-18)12-24-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21,22).
What are the key properties of 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 387.56 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17321459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).