N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine

C13H16IN3S — CID 105151873

IUPACN-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)c1csnn1
InChIInChI=1S/C13H16IN3S/c1-2-7-15-12(13-9-18-17-16-13)8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,2,7-8H2,1H3
InChIKeyJUCWZHIMUGZXMZ-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine

N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (PubChem CID 105151873) has the molecular formula C13H16IN3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
PubChem CID105151873
Molecular FormulaC13H16IN3S
Molecular Weight373.26 g/mol
Exact Mass373.01
IUPAC NameN-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)c1csnn1
InChIInChI=1S/C13H16IN3S/c1-2-7-15-12(13-9-18-17-16-13)8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,2,7-8H2,1H3
InChIKeyJUCWZHIMUGZXMZ-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
5-methyl-N-propyl-1-(thiadiazol-4-yl)hexan-1-amine
CID 105177007
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105160117
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105175945
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105162736
N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (CID 105151873) is N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(I)cc1)c1csnn1.
What is the InChIKey of N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is JUCWZHIMUGZXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3S/c1-2-7-15-12(13-9-18-17-16-13)8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,2,7-8H2,1H3.
What are the key properties of N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 373.26 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105151873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).