N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide

C20H20N4O2S — CID 8785074

IUPACN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
SMILESCc1sc2nc(CC(=O)N/N=C3\CCc4ccccc4C3)[nH]c(=O)c2c1C
InChIInChI=1S/C20H20N4O2S/c1-11-12(2)27-20-18(11)19(26)21-16(22-20)10-17(25)24-23-15-8-7-13-5-3-4-6-14(13)9-15/h3-6H,7-10H2,1-2H3,(H,24,25)(H,21,22,26)/b23-15+
InChIKeyPVEPEGJXDOXJIO-HZHRSRAPSA-N
MW380.47 g/mol
LogP2.81
Rot. Bonds3

About N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide

N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide (PubChem CID 8785074) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
PubChem CID8785074
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
SMILESCc1sc2nc(CC(=O)N/N=C3\CCc4ccccc4C3)[nH]c(=O)c2c1C
InChIInChI=1S/C20H20N4O2S/c1-11-12(2)27-20-18(11)19(26)21-16(22-20)10-17(25)24-23-15-8-7-13-5-3-4-6-14(13)9-15/h3-6H,7-10H2,1-2H3,(H,24,25)(H,21,22,26)/b23-15+
InChIKeyPVEPEGJXDOXJIO-HZHRSRAPSA-N
XLogP2.81
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.81
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'}

Analyze N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide 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-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177345
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide
CID 129448484
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 9177265
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177304
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177248
N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]-2-phenylsulfanylpropanehydrazide
CID 4808821
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177323
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 55352687
N'-[2-(4-chlorophenoxy)acetyl]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetohydrazide
CID 4808802
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8601804
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(2,5-dimethylphenyl)thiourea
CID 8601820
(2R)-2-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367117

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide (CID 8785074) is N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide is Cc1sc2nc(CC(=O)N/N=C3\CCc4ccccc4C3)[nH]c(=O)c2c1C.
What is the InChIKey of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The InChIKey is PVEPEGJXDOXJIO-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-11-12(2)27-20-18(11)19(26)21-16(22-20)10-17(25)24-23-15-8-7-13-5-3-4-6-14(13)9-15/h3-6H,7-10H2,1-2H3,(H,24,25)(H,21,22,26)/b23-15+.
What are the key properties of N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 8785074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).