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

C8H15N3S3 — CID 115383697

IUPACN-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCNCC(C)Sc1nnc(SC)s1
InChIInChI=1S/C8H15N3S3/c1-4-9-5-6(2)13-8-11-10-7(12-3)14-8/h6,9H,4-5H2,1-3H3
InChIKeyKZFPNVAUZZKGMM-UHFFFAOYSA-N
MW249.43 g/mol
LogP2.35
Rot. Bonds6

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

N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 115383697) has the molecular formula C8H15N3S3 and a molecular weight of 249.43 g/mol. Its IUPAC name is N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID115383697
Molecular FormulaC8H15N3S3
Molecular Weight249.43 g/mol
Exact Mass249.04
IUPAC NameN-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCNCC(C)Sc1nnc(SC)s1
InChIInChI=1S/C8H15N3S3/c1-4-9-5-6(2)13-8-11-10-7(12-3)14-8/h6,9H,4-5H2,1-3H3
InChIKeyKZFPNVAUZZKGMM-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384216
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 115384279
2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine
CID 62576391
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 62578684
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384110
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384098
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
N-ethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 113298908
2-butan-2-ylsulfanyl-5-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazole
CID 148911625
(2S)-N-(4-ethylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557431
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (CID 115383697) is N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is CCNCC(C)Sc1nnc(SC)s1.
What is the InChIKey of N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is KZFPNVAUZZKGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S3/c1-4-9-5-6(2)13-8-11-10-7(12-3)14-8/h6,9H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 249.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 115383697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).