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

C22H17N5S — CID 135651619

IUPACN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ccccc2c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C22H17N5S/c1-14-17(16-9-5-6-10-19(16)26-14)11-25-27-21-20-18(15-7-3-2-4-8-15)12-28-22(20)24-13-23-21/h2-13,26H,1H3,(H,23,24,27)/b25-11+
InChIKeyWJFQDECQIIGXBM-OPEKNORGSA-N
MW383.48 g/mol
LogP5.59
Rot. Bonds4

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

N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 135651619) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID135651619
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC NameN-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ccccc2c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C22H17N5S/c1-14-17(16-9-5-6-10-19(16)26-14)11-25-27-21-20-18(15-7-3-2-4-8-15)12-28-22(20)24-13-23-21/h2-13,26H,1H3,(H,23,24,27)/b25-11+
InChIKeyWJFQDECQIIGXBM-OPEKNORGSA-N
XLogP5.59
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3758749
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 10522535
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 146025539
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651634
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 135699371
4-bromo-2-[(E)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135651752
2-methoxy-4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3640732
N-[(2-chloro-8-methylquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 3332290
N-[(E)-2H-chromen-3-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 6886819
4-nitro-2-[(Z)-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenolate
CID 7735261
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5193732

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 135651619) is N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ccccc2c1/C=N/Nc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WJFQDECQIIGXBM-OPEKNORGSA-N. The full InChI is InChI=1S/C22H17N5S/c1-14-17(16-9-5-6-10-19(16)26-14)11-25-27-21-20-18(15-7-3-2-4-8-15)12-28-22(20)24-13-23-21/h2-13,26H,1H3,(H,23,24,27)/b25-11+.
What are the key properties of N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 383.48 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135651619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).