N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine

C13H15N3S — CID 114694489

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESC1=C(CNc2nccc3sccc23)CCNC1
InChIInChI=1S/C13H15N3S/c1-5-14-6-2-10(1)9-16-13-11-4-8-17-12(11)3-7-15-13/h1,3-4,7-8,14H,2,5-6,9H2,(H,15,16)
InChIKeyGMYFKFBZCVSVQC-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.63
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 114694489) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID114694489
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESC1=C(CNc2nccc3sccc23)CCNC1
InChIInChI=1S/C13H15N3S/c1-5-14-6-2-10(1)9-16-13-11-4-8-17-12(11)3-7-15-13/h1,3-4,7-8,14H,2,5-6,9H2,(H,15,16)
InChIKeyGMYFKFBZCVSVQC-UHFFFAOYSA-N
XLogP2.63
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 79492609
N-piperidin-4-ylthieno[3,2-c]pyridin-4-amine
CID 43522721
N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 62501996
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine
CID 114694662
N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]pyridin-4-amine
CID 114794635
N-[(4,5-dimethylthiophen-2-yl)methyl]thieno[3,2-c]pyridin-4-amine
CID 65245920
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285
N-(quinolin-8-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 78980805
N-[(1-methylcyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 55261967
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694669
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine (CID 114694489) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine is C1=C(CNc2nccc3sccc23)CCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is GMYFKFBZCVSVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-5-14-6-2-10(1)9-16-13-11-4-8-17-12(11)3-7-15-13/h1,3-4,7-8,14H,2,5-6,9H2,(H,15,16).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 114694489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).