N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine

C13H17N3S2 — CID 64650265

IUPACN-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
SMILESCCNC(CSc1nnc(C)s1)c1ccccc1
InChIInChI=1S/C13H17N3S2/c1-3-14-12(11-7-5-4-6-8-11)9-17-13-16-15-10(2)18-13/h4-8,12,14H,3,9H2,1-2H3
InChIKeyWQOHOCZKQXSYPW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.29
Rot. Bonds6

About N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine

N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine (PubChem CID 64650265) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
PubChem CID64650265
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
SMILESCCNC(CSc1nnc(C)s1)c1ccccc1
InChIInChI=1S/C13H17N3S2/c1-3-14-12(11-7-5-4-6-8-11)9-17-13-16-15-10(2)18-13/h4-8,12,14H,3,9H2,1-2H3
InChIKeyWQOHOCZKQXSYPW-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine
CID 64650429
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
N-[1-(3,4-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 64649265
N-ethyl-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64648695
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylbutyl)acetamide
CID 51184247
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7522794
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
N-(1,2-diphenylethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18193675
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine?
The IUPAC name of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine (CID 64650265) is N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine is CCNC(CSc1nnc(C)s1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine?
The InChIKey is WQOHOCZKQXSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-3-14-12(11-7-5-4-6-8-11)9-17-13-16-15-10(2)18-13/h4-8,12,14H,3,9H2,1-2H3.
What are the key properties of N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine?
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine is sourced from PubChem (CID 64650265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).