3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one

C18H22N4O2S2 — CID 55834090

IUPAC3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nnc(C(C)Sc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1
InChIInChI=1S/C18H22N4O2S2/c1-9-10(2)25-16-14(9)17(23)22(13-7-5-6-8-13)18(19-16)26-11(3)15-21-20-12(4)24-15/h11,13H,5-8H2,1-4H3
InChIKeyDVMJGYZSMGNJSD-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.73
Rot. Bonds4

About 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one

3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 55834090) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID55834090
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nnc(C(C)Sc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1
InChIInChI=1S/C18H22N4O2S2/c1-9-10(2)25-16-14(9)17(23)22(13-7-5-6-8-13)18(19-16)26-11(3)15-21-20-12(4)24-15/h11,13H,5-8H2,1-4H3
InChIKeyDVMJGYZSMGNJSD-UHFFFAOYSA-N
XLogP4.73
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one 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

3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 51140617
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide
CID 51209497
3-cyclohexyl-2-[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2562813
3-cyclopentyl-5,6-dimethyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 32983981
1-[(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]cyclopropane-1-carbonitrile
CID 71905568
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 46645171
3-cyclopentyl-5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 112783607
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46623407
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39066345
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46624071
3-cyclopentyl-5,6-dimethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 2564060
6-amino-5-[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 27278634

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one (CID 55834090) is 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one is Cc1nnc(C(C)Sc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1.
What is the InChIKey of 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DVMJGYZSMGNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-9-10(2)25-16-14(9)17(23)22(13-7-5-6-8-13)18(19-16)26-11(3)15-21-20-12(4)24-15/h11,13H,5-8H2,1-4H3.
What are the key properties of 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one?
3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 390.53 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5,6-dimethyl-2-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55834090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).