5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H13N3S2 — CID 83478435

IUPAC5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CCSc2nnc(N)s2)cc1
InChIInChI=1S/C11H13N3S2/c1-8-2-4-9(5-3-8)6-7-15-11-14-13-10(12)16-11/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyCETBIOAHMBXCKJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.76
Rot. Bonds4

About 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 83478435) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID83478435
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CCSc2nnc(N)s2)cc1
InChIInChI=1S/C11H13N3S2/c1-8-2-4-9(5-3-8)6-7-15-11-14-13-10(12)16-11/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyCETBIOAHMBXCKJ-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 2197756
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
5-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 114528160
5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115647521
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534
5-(3-chloropropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 13142198
5-(4-methoxybutylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115626683
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide
CID 980257
5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 83172117

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 83478435) is 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(CCSc2nnc(N)s2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CETBIOAHMBXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-8-2-4-9(5-3-8)6-7-15-11-14-13-10(12)16-11/h2-5H,6-7H2,1H3,(H2,12,13).
What are the key properties of 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 251.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83478435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).