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

C15H21N3S — CID 105100904

IUPACN-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1csnn1
InChIInChI=1S/C15H21N3S/c1-4-7-16-14(15-10-19-18-17-15)9-13-8-11(2)5-6-12(13)3/h5-6,8,10,14,16H,4,7,9H2,1-3H3
InChIKeyATPMQYLFLVQIKK-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.44
Rot. Bonds6

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

N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (PubChem CID 105100904) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
PubChem CID105100904
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1csnn1
InChIInChI=1S/C15H21N3S/c1-4-7-16-14(15-10-19-18-17-15)9-13-8-11(2)5-6-12(13)3/h5-6,8,10,14,16H,4,7,9H2,1-3H3
InChIKeyATPMQYLFLVQIKK-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
[(4-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663916
[(2-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663921
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663961
1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664052
[(3-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43664101
2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664156
1-(2,5-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674257
1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43680864
1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (CID 105100904) is N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1C)c1csnn1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is ATPMQYLFLVQIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-7-16-14(15-10-19-18-17-15)9-13-8-11(2)5-6-12(13)3/h5-6,8,10,14,16H,4,7,9H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105100904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).