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

C11H13N3S2 — CID 2468617

IUPAC5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3S2/c1-3-15-11-14-13-10(16-11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyOXVCEOSBVBUNKV-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.70
Rot. Bonds4

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

5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2468617) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID2468617
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C11H13N3S2/c1-3-15-11-14-13-10(16-11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyOXVCEOSBVBUNKV-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155539332
1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)urea
CID 2476754
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 4881920
N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine
CID 2114383
1-Phenyl-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
CID 660808
4-{[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzenecarbonitrile
CID 2088994
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
CID 2488470
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)thio]ethanol
CID 3242010
N-(5-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 3251288
3-[[5-(4-Methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
CID 3279719
N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 3977504
N-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6915253

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 2468617) is 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is CCSc1nnc(Nc2ccc(C)cc2)s1.
What is the InChIKey of 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OXVCEOSBVBUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-3-15-11-14-13-10(16-11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 251.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2468617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).