3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C12H13N5OS2 — CID 102685480

IUPAC3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCNc1nnc(Cn2cnc3c(C)csc3c2=O)s1
InChIInChI=1S/C12H13N5OS2/c1-3-13-12-16-15-8(20-12)4-17-6-14-9-7(2)5-19-10(9)11(17)18/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyRVXKGCHEGGATJA-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.10
Rot. Bonds4

About 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685480) has the molecular formula C12H13N5OS2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685480
Molecular FormulaC12H13N5OS2
Molecular Weight307.40 g/mol
Exact Mass307.06
IUPAC Name3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCNc1nnc(Cn2cnc3c(C)csc3c2=O)s1
InChIInChI=1S/C12H13N5OS2/c1-3-13-12-16-15-8(20-12)4-17-6-14-9-7(2)5-19-10(9)11(17)18/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyRVXKGCHEGGATJA-UHFFFAOYSA-N
XLogP2.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685475
5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-methylpyrimidin-4-one
CID 80608742
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685676
3-(3-bromo-2-methylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685349
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685480) is 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is CCNc1nnc(Cn2cnc3c(C)csc3c2=O)s1.
What is the InChIKey of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is RVXKGCHEGGATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS2/c1-3-13-12-16-15-8(20-12)4-17-6-14-9-7(2)5-19-10(9)11(17)18/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 307.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).