N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H14ClN5OS2 — CID 8910009

IUPACN-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)s1
InChIInChI=1S/C14H14ClN5OS2/c1-2-5-17-13-19-20-14(23-13)22-8-12(21)18-11-6-10(15)4-3-9(11)7-16/h3-4,6H,2,5,8H2,1H3,(H,17,19)(H,18,21)
InChIKeyCMFGRYYHDFDJGO-UHFFFAOYSA-N
MW367.89 g/mol
LogP3.62
Rot. Bonds7

About N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8910009) has the molecular formula C14H14ClN5OS2 and a molecular weight of 367.89 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID8910009
Molecular FormulaC14H14ClN5OS2
Molecular Weight367.89 g/mol
Exact Mass367.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)s1
InChIInChI=1S/C14H14ClN5OS2/c1-2-5-17-13-19-20-14(23-13)22-8-12(21)18-11-6-10(15)4-3-9(11)7-16/h3-4,6H,2,5,8H2,1H3,(H,17,19)(H,18,21)
InChIKeyCMFGRYYHDFDJGO-UHFFFAOYSA-N
XLogP3.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78801335
N-(2-chloro-4-methylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909869
[3-methyl-4-[[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl] thiocyanate
CID 8911043
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1311263
N-[1-(4-chlorophenyl)ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 78811979
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8911552
N-(4-propan-2-ylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909930
N-(2,6-dichloro-3-methylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909884
N-(5-chloro-2-methylphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8869646
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 7940124

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8910009) is N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCCNc1nnc(SCC(=O)Nc2cc(Cl)ccc2C#N)s1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CMFGRYYHDFDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5OS2/c1-2-5-17-13-19-20-14(23-13)22-8-12(21)18-11-6-10(15)4-3-9(11)7-16/h3-4,6H,2,5,8H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 367.89 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8910009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).