N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine

C16H15ClN2S — CID 65029018

IUPACN-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
SMILESClCC(Cc1ccccc1)Nc1nccc2sccc12
InChIInChI=1S/C16H15ClN2S/c17-11-13(10-12-4-2-1-3-5-12)19-16-14-7-9-20-15(14)6-8-18-16/h1-9,13H,10-11H2,(H,18,19)
InChIKeyXISFQZWIAMVJEF-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.56
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine

N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 65029018) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID65029018
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
SMILESClCC(Cc1ccccc1)Nc1nccc2sccc12
InChIInChI=1S/C16H15ClN2S/c17-11-13(10-12-4-2-1-3-5-12)19-16-14-7-9-20-15(14)6-8-18-16/h1-9,13H,10-11H2,(H,18,19)
InChIKeyXISFQZWIAMVJEF-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.56
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-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 115657878
N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 65027465
N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386410
N-[4-(chloromethyl)phenyl]thieno[3,2-c]pyridin-4-amine
CID 65029006
N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
N-hex-1-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 106231740
N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330687
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
N-(1-chloro-3-phenylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 65029170

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine (CID 65029018) is N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine is ClCC(Cc1ccccc1)Nc1nccc2sccc12.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is XISFQZWIAMVJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c17-11-13(10-12-4-2-1-3-5-12)19-16-14-7-9-20-15(14)6-8-18-16/h1-9,13H,10-11H2,(H,18,19).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine?
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 302.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 65029018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).