2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine

C13H20N4S — CID 113412535

IUPAC2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
SMILESCC(C)C(NCCCn1ccnn1)c1cccs1
InChIInChI=1S/C13H20N4S/c1-11(2)13(12-5-3-10-18-12)14-6-4-8-17-9-7-15-16-17/h3,5,7,9-11,13-14H,4,6,8H2,1-2H3
InChIKeyWQBWCXMEBLISMK-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.72
Rot. Bonds7

About 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine

2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine (PubChem CID 113412535) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
PubChem CID113412535
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
SMILESCC(C)C(NCCCn1ccnn1)c1cccs1
InChIInChI=1S/C13H20N4S/c1-11(2)13(12-5-3-10-18-12)14-6-4-8-17-9-7-15-16-17/h3,5,7,9-11,13-14H,4,6,8H2,1-2H3
InChIKeyWQBWCXMEBLISMK-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.72
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-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 103880851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine (CID 113412535) is 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine is CC(C)C(NCCCn1ccnn1)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
The InChIKey is WQBWCXMEBLISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-11(2)13(12-5-3-10-18-12)14-6-4-8-17-9-7-15-16-17/h3,5,7,9-11,13-14H,4,6,8H2,1-2H3.
What are the key properties of 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine?
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 113412535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).