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

C14H19N3S2 — CID 64650429

IUPACN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine
SMILESCCCNC(CSc1nnc(C)s1)c1ccccc1
InChIInChI=1S/C14H19N3S2/c1-3-9-15-13(12-7-5-4-6-8-12)10-18-14-17-16-11(2)19-14/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyJOXYVXVXQSQCAJ-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.68
Rot. Bonds7

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

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine (PubChem CID 64650429) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine
PubChem CID64650429
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC NameN-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine
SMILESCCCNC(CSc1nnc(C)s1)c1ccccc1
InChIInChI=1S/C14H19N3S2/c1-3-9-15-13(12-7-5-4-6-8-12)10-18-14-17-16-11(2)19-14/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyJOXYVXVXQSQCAJ-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265
N-[1-(3,4-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 64649265
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 64650066
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
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-[2-(2-bromophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64614752
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
N-(1,2-diphenylethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18193675
N-ethyl-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64648695
N-[2-(2,5-difluorophenyl)sulfanyl-1-phenylethyl]propan-1-amine
CID 64648483

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine (CID 64650429) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine is CCCNC(CSc1nnc(C)s1)c1ccccc1.
What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine?
The InChIKey is JOXYVXVXQSQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-3-9-15-13(12-7-5-4-6-8-12)10-18-14-17-16-11(2)19-14/h4-8,13,15H,3,9-10H2,1-2H3.
What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine?
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 64650429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).