N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

C14H19N3S2 — CID 64649193

IUPACN-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCNC(CSc1nncs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3S2/c1-10(2)11-4-6-12(7-5-11)13(15-3)8-18-14-17-16-9-19-14/h4-7,9-10,13,15H,8H2,1-3H3
InChIKeyQHHWNQBKDLRYAK-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 64649193) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID64649193
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCNC(CSc1nncs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19N3S2/c1-10(2)11-4-6-12(7-5-11)13(15-3)8-18-14-17-16-9-19-14/h4-7,9-10,13,15H,8H2,1-3H3
InChIKeyQHHWNQBKDLRYAK-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64650748
1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
CID 107511336
N-[1-(3,4-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64649776
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
2-(2,2-difluoroethylsulfanyl)-1,3,4-thiadiazole
CID 130658941
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
N-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64627425
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 104604682
N-propyl-1-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 64648403
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
methyl 2-bromo-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 81091503

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 64649193) is N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is CNC(CSc1nncs1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is QHHWNQBKDLRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-10(2)11-4-6-12(7-5-11)13(15-3)8-18-14-17-16-9-19-14/h4-7,9-10,13,15H,8H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 64649193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).