3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one

C16H18N4OS2 — CID 71859872

IUPAC3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCNC1(c2nccs2)CCCC1
InChIInChI=1S/C16H18N4OS2/c21-14-13-12(3-9-22-13)18-11-20(14)8-6-19-16(4-1-2-5-16)15-17-7-10-23-15/h3,7,9-11,19H,1-2,4-6,8H2
InChIKeyASYZXJYOFBPEGM-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.97
Rot. Bonds5

About 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 71859872) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID71859872
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCNC1(c2nccs2)CCCC1
InChIInChI=1S/C16H18N4OS2/c21-14-13-12(3-9-22-13)18-11-20(14)8-6-19-16(4-1-2-5-16)15-17-7-10-23-15/h3,7,9-11,19H,1-2,4-6,8H2
InChIKeyASYZXJYOFBPEGM-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one (CID 71859872) is 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCNC1(c2nccs2)CCCC1.
What is the InChIKey of 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ASYZXJYOFBPEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c21-14-13-12(3-9-22-13)18-11-20(14)8-6-19-16(4-1-2-5-16)15-17-7-10-23-15/h3,7,9-11,19H,1-2,4-6,8H2.
What are the key properties of 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 346.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 71859872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).