N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine

C13H14N2S — CID 115657878

IUPACN-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
SMILESC#CCC(CC)Nc1nccc2sccc12
InChIInChI=1S/C13H14N2S/c1-3-5-10(4-2)15-13-11-7-9-16-12(11)6-8-14-13/h1,6-10H,4-5H2,2H3,(H,14,15)
InChIKeyGNFZHEMDZUZUQU-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.51
Rot. Bonds4

About N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine

N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine (PubChem CID 115657878) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
PubChem CID115657878
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
SMILESC#CCC(CC)Nc1nccc2sccc12
InChIInChI=1S/C13H14N2S/c1-3-5-10(4-2)15-13-11-7-9-16-12(11)6-8-14-13/h1,6-10H,4-5H2,2H3,(H,14,15)
InChIKeyGNFZHEMDZUZUQU-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 106231740
N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 115744792
N-hex-5-yn-3-yl-4-methyl-3-nitropyridin-2-amine
CID 113243931
3-chloro-2-(hex-5-yn-3-ylamino)pyridine-4-carbonitrile
CID 107058411
N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 113260876
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 65029018
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848
N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 60871189
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine (CID 115657878) is N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine is C#CCC(CC)Nc1nccc2sccc12.
What is the InChIKey of N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine?
The InChIKey is GNFZHEMDZUZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-3-5-10(4-2)15-13-11-7-9-16-12(11)6-8-14-13/h1,6-10H,4-5H2,2H3,(H,14,15).
What are the key properties of N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine?
N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine has a molecular weight of 230.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 115657878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).