2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide

C17H22N4O2S — CID 129448484

IUPAC2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide
SMILESCC[C@@H]1CCC(=NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C1
InChIInChI=1S/C17H22N4O2S/c1-4-11-5-6-12(7-11)20-21-14(22)8-13-18-16(23)15-9(2)10(3)24-17(15)19-13/h11H,4-8H2,1-3H3,(H,21,22)(H,18,19,23)/t11-/m1/s1
InChIKeyOKPQDIZFDKQUGL-LLVKDONJSA-N
MW346.46 g/mol
LogP2.83
Rot. Bonds4

About 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide

2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide (PubChem CID 129448484) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide
PubChem CID129448484
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide
SMILESCC[C@@H]1CCC(=NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C1
InChIInChI=1S/C17H22N4O2S/c1-4-11-5-6-12(7-11)20-21-14(22)8-13-18-16(23)15-9(2)10(3)24-17(15)19-13/h11H,4-8H2,1-3H3,(H,21,22)(H,18,19,23)/t11-/m1/s1
InChIKeyOKPQDIZFDKQUGL-LLVKDONJSA-N
XLogP2.83
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.83
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 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]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-[(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
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-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177345
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177304
N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75417655
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)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177323
N'-[2-(4-chlorophenoxy)acetyl]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetohydrazide
CID 4808802
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
2-[(4-hydroxypiperidin-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60641650
N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]-2-phenylsulfanylpropanehydrazide
CID 4808821
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 8601822

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide (CID 129448484) is 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide is CC[C@@H]1CCC(=NNC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)C1.
What is the InChIKey of 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide?
The InChIKey is OKPQDIZFDKQUGL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-11-5-6-12(7-11)20-21-14(22)8-13-18-16(23)15-9(2)10(3)24-17(15)19-13/h11H,4-8H2,1-3H3,(H,21,22)(H,18,19,23)/t11-/m1/s1.
What are the key properties of 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide?
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide is sourced from PubChem (CID 129448484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).