N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine

C15H13ClN2S — CID 65027465

IUPACN-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
SMILESClC(CNc1nccc2sccc12)c1ccccc1
InChIInChI=1S/C15H13ClN2S/c16-13(11-4-2-1-3-5-11)10-18-15-12-7-9-19-14(12)6-8-17-15/h1-9,13H,10H2,(H,17,18)
InChIKeyMXWUYYGPGSFMRA-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.69
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine

N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 65027465) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID65027465
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
SMILESClC(CNc1nccc2sccc12)c1ccccc1
InChIInChI=1S/C15H13ClN2S/c16-13(11-4-2-1-3-5-11)10-18-15-12-7-9-19-14(12)6-8-17-15/h1-9,13H,10H2,(H,17,18)
InChIKeyMXWUYYGPGSFMRA-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
2-methoxy-3-(thieno[3,2-c]pyridin-4-ylamino)propanoic acid
CID 106108525
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 65029018
N-(2-methyl-3-pyrrolidin-1-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 62992310
N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 112730428
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235
2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine
CID 105060736
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-(1,2-oxazol-3-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 79492609

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine (CID 65027465) is N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine is ClC(CNc1nccc2sccc12)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is MXWUYYGPGSFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-13(11-4-2-1-3-5-11)10-18-15-12-7-9-19-14(12)6-8-17-15/h1-9,13H,10H2,(H,17,18).
What are the key properties of N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine?
N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 288.80 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 65027465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).