3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide

C14H15Cl2N3O2S2 — CID 18864985

IUPAC3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2nnc(SCC)s2)cc1Cl
InChIInChI=1S/C14H15Cl2N3O2S2/c1-3-5-21-11-9(15)6-8(7-10(11)16)12(20)17-13-18-19-14(23-13)22-4-2/h6-7H,3-5H2,1-2H3,(H,17,18,20)
InChIKeyOOLLVIMRFBSADB-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.00
Rot. Bonds7

About 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide

3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide (PubChem CID 18864985) has the molecular formula C14H15Cl2N3O2S2 and a molecular weight of 392.33 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
PubChem CID18864985
Molecular FormulaC14H15Cl2N3O2S2
Molecular Weight392.33 g/mol
Exact Mass391.00
IUPAC Name3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2nnc(SCC)s2)cc1Cl
InChIInChI=1S/C14H15Cl2N3O2S2/c1-3-5-21-11-9(15)6-8(7-10(11)16)12(20)17-13-18-19-14(23-13)22-4-2/h6-7H,3-5H2,1-2H3,(H,17,18,20)
InChIKeyOOLLVIMRFBSADB-UHFFFAOYSA-N
XLogP5.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18848688
3,5-dichloro-4-hexoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 18848963
3,5-dichloro-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide
CID 18864880
3-chloro-4-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100692685
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5-dichloro-4-methoxybenzamide
CID 18848652
3,5-dichloro-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
CID 18864726
ethyl 2-[[5-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 39122910
3,5-dichloro-4-heptoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18864959
3,5-dichloro-4-ethoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3301002
3,5-dichloro-4-ethoxy-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3323141
4-butoxy-3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18848765
3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
CID 18848842

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide (CID 18864985) is 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2nnc(SCC)s2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
The InChIKey is OOLLVIMRFBSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S2/c1-3-5-21-11-9(15)6-8(7-10(11)16)12(20)17-13-18-19-14(23-13)22-4-2/h6-7H,3-5H2,1-2H3,(H,17,18,20).
What are the key properties of 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide?
3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide has a molecular weight of 392.33 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 18864985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).