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

C14H19N3S — CID 105120178

IUPACN-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc(C)ccc1C
InChIInChI=1S/C14H19N3S/c1-4-7-15-14(13-9-18-17-16-13)12-8-10(2)5-6-11(12)3/h5-6,8-9,14-15H,4,7H2,1-3H3
InChIKeyRNRTWBBYAHWXCJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.24
Rot. Bonds5

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

N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 105120178) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID105120178
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1cc(C)ccc1C
InChIInChI=1S/C14H19N3S/c1-4-7-15-14(13-9-18-17-16-13)12-8-10(2)5-6-11(12)3/h5-6,8-9,14-15H,4,7H2,1-3H3
InChIKeyRNRTWBBYAHWXCJ-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.24
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-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine (CID 105120178) is N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1csnn1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is RNRTWBBYAHWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-7-15-14(13-9-18-17-16-13)12-8-10(2)5-6-11(12)3/h5-6,8-9,14-15H,4,7H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105120178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).