3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine

C14H16N4S — CID 43664066

IUPAC3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)ccn2CCCNCc1csnn1
InChIInChI=1S/C14H16N4S/c1-2-5-14-12(4-1)6-9-18(14)8-3-7-15-10-13-11-19-17-16-13/h1-2,4-6,9,11,15H,3,7-8,10H2
InChIKeyUBBCFWJXHGJLHI-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.67
Rot. Bonds6

About 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664066) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664066
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)ccn2CCCNCc1csnn1
InChIInChI=1S/C14H16N4S/c1-2-5-14-12(4-1)6-9-18(14)8-3-7-15-10-13-11-19-17-16-13/h1-2,4-6,9,11,15H,3,7-8,10H2
InChIKeyUBBCFWJXHGJLHI-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-indol-1-ylpropylamino)methyl]phenol
CID 28716078
3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662482
3-indol-1-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 112806723
3-phenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 62380767
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-fluoropropyl)indole
CID 81113690
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-iodopropyl)indole
CID 11323600
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994
N-(3-indol-1-ylpropyl)-2-methylthiolan-3-amine
CID 102671461
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
CID 102868118

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664066) is 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is c1ccc2c(c1)ccn2CCCNCc1csnn1.
What is the InChIKey of 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is UBBCFWJXHGJLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-5-14-12(4-1)6-9-18(14)8-3-7-15-10-13-11-19-17-16-13/h1-2,4-6,9,11,15H,3,7-8,10H2.
What are the key properties of 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 272.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).