N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C22H17N5OS — CID 135651634

IUPACN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c2c1
InChIInChI=1S/C22H17N5OS/c1-28-16-7-8-19-17(9-16)15(10-23-19)11-26-27-21-20-18(14-5-3-2-4-6-14)12-29-22(20)25-13-24-21/h2-13,23H,1H3,(H,24,25,27)/b26-11+
InChIKeyCLBCBEOSSAGBCH-KBKYJPHKSA-N
MW399.48 g/mol
LogP5.29
Rot. Bonds5

About N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 135651634) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID135651634
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c2c1
InChIInChI=1S/C22H17N5OS/c1-28-16-7-8-19-17(9-16)15(10-23-19)11-26-27-21-20-18(14-5-3-2-4-6-14)12-29-22(20)25-13-24-21/h2-13,23H,1H3,(H,24,25,27)/b26-11+
InChIKeyCLBCBEOSSAGBCH-KBKYJPHKSA-N
XLogP5.29
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3640732
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651619
4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135651752
4-nitro-2-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenolate
CID 7735261
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3332290
2-[4-[(Z)-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9245447
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
N-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5166577
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135399898
N-[(E)-1H-indol-3-ylmethylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 142854342
N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3743434

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 135651634) is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc2[nH]cc(/C=N/Nc3ncnc4scc(-c5ccccc5)c34)c2c1.
What is the InChIKey of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CLBCBEOSSAGBCH-KBKYJPHKSA-N. The full InChI is InChI=1S/C22H17N5OS/c1-28-16-7-8-19-17(9-16)15(10-23-19)11-26-27-21-20-18(14-5-3-2-4-6-14)12-29-22(20)25-13-24-21/h2-13,23H,1H3,(H,24,25,27)/b26-11+.
What are the key properties of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 399.48 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135651634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).