1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

C13H23N3S3 — CID 104756010

IUPAC1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCCNC(CSc1nnc(SC)s1)C1CCCCC1
InChIInChI=1S/C13H23N3S3/c1-3-14-11(10-7-5-4-6-8-10)9-18-13-16-15-12(17-2)19-13/h10-11,14H,3-9H2,1-2H3
InChIKeyNQLHWHPFGFODBU-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.91
Rot. Bonds7

About 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 104756010) has the molecular formula C13H23N3S3 and a molecular weight of 317.55 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID104756010
Molecular FormulaC13H23N3S3
Molecular Weight317.55 g/mol
Exact Mass317.11
IUPAC Name1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCCNC(CSc1nnc(SC)s1)C1CCCCC1
InChIInChI=1S/C13H23N3S3/c1-3-14-11(10-7-5-4-6-8-10)9-18-13-16-15-12(17-2)19-13/h10-11,14H,3-9H2,1-2H3
InChIKeyNQLHWHPFGFODBU-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
5-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104754986
2-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 115383549
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
5-[2-cyclopropyl-2-(propylamino)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64612308
N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 114228938
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 104756010) is 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is CCNC(CSc1nnc(SC)s1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is NQLHWHPFGFODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S3/c1-3-14-11(10-7-5-4-6-8-10)9-18-13-16-15-12(17-2)19-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 317.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 104756010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).