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

C10H10ClN3S2 — CID 587037

IUPAC5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Sc1nnc(N)s1)c1ccccc1Cl
InChIInChI=1S/C10H10ClN3S2/c1-6(7-4-2-3-5-8(7)11)15-10-14-13-9(12)16-10/h2-6H,1H3,(H2,12,13)
InChIKeySHPPWRBIXFGFBY-UHFFFAOYSA-N
MW271.80 g/mol
LogP3.63
Rot. Bonds3

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

5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 587037) has the molecular formula C10H10ClN3S2 and a molecular weight of 271.80 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID587037
Molecular FormulaC10H10ClN3S2
Molecular Weight271.80 g/mol
Exact Mass271.00
IUPAC Name5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Sc1nnc(N)s1)c1ccccc1Cl
InChIInChI=1S/C10H10ClN3S2/c1-6(7-4-2-3-5-8(7)11)15-10-14-13-9(12)16-10/h2-6H,1H3,(H2,12,13)
InChIKeySHPPWRBIXFGFBY-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-
CID 99285
5-(((4-Chlorophenyl)methyl)thio)-1,3,4-thiadiazol-2-amine
CID 351887
5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
CID 5346752
5-[(2-Chloro-4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 972610
5-[(2-Chlorobenzyl)thio]-1,3,4-thiadiazol-2-amine
CID 673926
5-{[(2-Chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 728593
5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 673461
5-{[(4-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 744068
5-{[(2-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 1868435
5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-ylamine
CID 571196
5-{[(4-Methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 693296
5-{[(2,4-Dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amine
CID 2881592

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 587037) is 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(Sc1nnc(N)s1)c1ccccc1Cl.
What is the InChIKey of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SHPPWRBIXFGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S2/c1-6(7-4-2-3-5-8(7)11)15-10-14-13-9(12)16-10/h2-6H,1H3,(H2,12,13).
What are the key properties of 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 587037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).