N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide

C20H29N5OS — CID 165143415

IUPACN'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide
SMILESC/C=C(\C)C(=O)N1CCc2c(/C(N)=N/C(/C=C(\N)CCC)=N/C)csc2C1
InChIInChI=1S/C20H29N5OS/c1-5-7-14(21)10-18(23-4)24-19(22)16-12-27-17-11-25(9-8-15(16)17)20(26)13(3)6-2/h6,10,12H,5,7-9,11,21H2,1-4H3,(H2,22,23,24)/b13-6+,14-10-
InChIKeyIVZMXACCXLSDLD-DWOKAIGUSA-N
MW387.55 g/mol
LogP2.98
Rot. Bonds5

About N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide

N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide (PubChem CID 165143415) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide
PubChem CID165143415
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC NameN'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide
SMILESC/C=C(\C)C(=O)N1CCc2c(/C(N)=N/C(/C=C(\N)CCC)=N/C)csc2C1
InChIInChI=1S/C20H29N5OS/c1-5-7-14(21)10-18(23-4)24-19(22)16-12-27-17-11-25(9-8-15(16)17)20(26)13(3)6-2/h6,10,12H,5,7-9,11,21H2,1-4H3,(H2,22,23,24)/b13-6+,14-10-
InChIKeyIVZMXACCXLSDLD-DWOKAIGUSA-N
XLogP2.98
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide?
The IUPAC name of N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide (CID 165143415) is N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide.
What is the SMILES notation for N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide?
The canonical SMILES for N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide is C/C=C(\C)C(=O)N1CCc2c(/C(N)=N/C(/C=C(\N)CCC)=N/C)csc2C1.
What is the InChIKey of N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide?
The InChIKey is IVZMXACCXLSDLD-DWOKAIGUSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-5-7-14(21)10-18(23-4)24-19(22)16-12-27-17-11-25(9-8-15(16)17)20(26)13(3)6-2/h6,10,12H,5,7-9,11,21H2,1-4H3,(H2,22,23,24)/b13-6+,14-10-.
What are the key properties of N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide?
N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide has a molecular weight of 387.55 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-[(Z)-2-aminopent-1-enyl]-N-methylcarbonimidoyl]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboximidamide is sourced from PubChem (CID 165143415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).