cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane

C20H27Cl2N3OS — CID 170644231

IUPACcyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane
SMILESCC.Clc1cc(NCc2ccco2)c2scc(Cl)c2n1.NC1CCCCC1
InChIInChI=1S/C12H8Cl2N2OS.C6H13N.C2H6/c13-8-6-18-12-9(4-10(14)16-11(8)12)15-5-7-2-1-3-17-7;7-6-4-2-1-3-5-6;1-2/h1-4,6H,5H2,(H,15,16);6H,1-5,7H2;1-2H3
InChIKeyNUAGRCQYZMVIAL-UHFFFAOYSA-N
MW428.43 g/mol
LogP7.11
Rot. Bonds3

About cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane

cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane (PubChem CID 170644231) has the molecular formula C20H27Cl2N3OS and a molecular weight of 428.43 g/mol. Its IUPAC name is cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane.

Molecular Properties

Compound Namecyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane
PubChem CID170644231
Molecular FormulaC20H27Cl2N3OS
Molecular Weight428.43 g/mol
Exact Mass427.13
IUPAC Namecyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane
SMILESCC.Clc1cc(NCc2ccco2)c2scc(Cl)c2n1.NC1CCCCC1
InChIInChI=1S/C12H8Cl2N2OS.C6H13N.C2H6/c13-8-6-18-12-9(4-10(14)16-11(8)12)15-5-7-2-1-3-17-7;7-6-4-2-1-3-5-6;1-2/h1-4,6H,5H2,(H,15,16);6H,1-5,7H2;1-2H3
InChIKeyNUAGRCQYZMVIAL-UHFFFAOYSA-N
XLogP7.11
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-5-chloro-3-methylthieno[3,2-b]pyridin-7-amine;cyclohexanamine;ethane
CID 170644406
5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
CID 154681219
2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644917
2-[(2S,3S)-3-aminooxan-2-yl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644716
2-[(1S,2R,5S,6S)-6-amino-2,5-dimethylcyclohex-3-en-1-yl]-3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644875
3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane;3-methylcyclohexan-1-amine
CID 170644260
2-[(1S)-1-amino-2-methylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390808
2-(2-aminopropyl)-5-chloro-N-(furan-2-ylmethyl)-3-methoxythieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 175189837
2-amino-3-[3,5-dichloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propanoic acid;dihydrochloride
CID 155059920
1-[5-chloro-7-(furan-2-ylmethylamino)-3-methylthieno[3,2-b]pyridin-2-yl]ethanol
CID 155059859
2-[(2R)-2-aminobut-3-ynyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162391107
2-[(2S)-2-amino-4-fluorobutyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 162390990

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane?
The IUPAC name of cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane (CID 170644231) is cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane.
What is the SMILES notation for cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane?
The canonical SMILES for cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane is CC.Clc1cc(NCc2ccco2)c2scc(Cl)c2n1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane?
The InChIKey is NUAGRCQYZMVIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2OS.C6H13N.C2H6/c13-8-6-18-12-9(4-10(14)16-11(8)12)15-5-7-2-1-3-17-7;7-6-4-2-1-3-5-6;1-2/h1-4,6H,5H2,(H,15,16);6H,1-5,7H2;1-2H3.
What are the key properties of cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane?
cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane has a molecular weight of 428.43 g/mol, XLogP of 7.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane is sourced from PubChem (CID 170644231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).