5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

C11H14N4S2 — CID 94695298

IUPAC5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(Nc2nnc(SCCN)s2)c1
InChIInChI=1S/C11H14N4S2/c1-8-3-2-4-9(7-8)13-10-14-15-11(17-10)16-6-5-12/h2-4,7H,5-6,12H2,1H3,(H,13,14)
InChIKeyQPCRNMXGGJNKGA-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.64
Rot. Bonds5

About 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 94695298) has the molecular formula C11H14N4S2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID94695298
Molecular FormulaC11H14N4S2
Molecular Weight266.40 g/mol
Exact Mass266.07
IUPAC Name5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(Nc2nnc(SCCN)s2)c1
InChIInChI=1S/C11H14N4S2/c1-8-3-2-4-9(7-8)13-10-14-15-11(17-10)16-6-5-12/h2-4,7H,5-6,12H2,1H3,(H,13,14)
InChIKeyQPCRNMXGGJNKGA-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 94696801
4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 7503610
N-(3-methylphenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 31837240
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39599961
N-cyclohexyl-3-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46683331
N-(3,4-difluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4851637
2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41479835
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 7999992
N-cyclopropyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7378189
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
CID 7863263
N-(3-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 15945209
1-(4-tert-butylphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7863050

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 94695298) is 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cccc(Nc2nnc(SCCN)s2)c1.
What is the InChIKey of 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QPCRNMXGGJNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-8-3-2-4-9(7-8)13-10-14-15-11(17-10)16-6-5-12/h2-4,7H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 266.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 94695298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).