5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

C15H12N4S4 — CID 43036232

IUPAC5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESc1csc(CCNc2nnc(Sc3nc4ccccc4s3)s2)c1
InChIInChI=1S/C15H12N4S4/c1-2-6-12-11(5-1)17-14(21-12)23-15-19-18-13(22-15)16-8-7-10-4-3-9-20-10/h1-6,9H,7-8H2,(H,16,18)
InChIKeyXWXMEUYAPJSXPE-UHFFFAOYSA-N
MW376.56 g/mol
LogP5.02
Rot. Bonds6

About 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 43036232) has the molecular formula C15H12N4S4 and a molecular weight of 376.56 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID43036232
Molecular FormulaC15H12N4S4
Molecular Weight376.56 g/mol
Exact Mass375.99
IUPAC Name5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESc1csc(CCNc2nnc(Sc3nc4ccccc4s3)s2)c1
InChIInChI=1S/C15H12N4S4/c1-2-6-12-11(5-1)17-14(21-12)23-15-19-18-13(22-15)16-8-7-10-4-3-9-20-10/h1-6,9H,7-8H2,(H,16,18)
InChIKeyXWXMEUYAPJSXPE-UHFFFAOYSA-N
XLogP5.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62578547
5-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-ethoxypropyl)-1,3,4-thiadiazol-2-amine
CID 31259585
3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 47130725
5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 47130653
5-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 51283678
2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 17417591
5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 26207414
5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 134052428
5-[(3-methylphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576791
N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24562899
N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42954108
N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576812

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 43036232) is 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is c1csc(CCNc2nnc(Sc3nc4ccccc4s3)s2)c1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XWXMEUYAPJSXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S4/c1-2-6-12-11(5-1)17-14(21-12)23-15-19-18-13(22-15)16-8-7-10-4-3-9-20-10/h1-6,9H,7-8H2,(H,16,18).
What are the key properties of 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 376.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 43036232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).