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

C12H13N5OS2 — CID 102685475

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCNc1snnc1Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C12H13N5OS2/c1-3-13-11-8(15-16-20-11)4-17-6-14-9-7(2)5-19-10(9)12(17)18/h5-6,13H,3-4H2,1-2H3
InChIKeyLECLSWMSLCMXOU-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.10
Rot. Bonds4

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

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685475) has the molecular formula C12H13N5OS2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685475
Molecular FormulaC12H13N5OS2
Molecular Weight307.40 g/mol
Exact Mass307.06
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCNc1snnc1Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C12H13N5OS2/c1-3-13-11-8(15-16-20-11)4-17-6-14-9-7(2)5-19-10(9)12(17)18/h5-6,13H,3-4H2,1-2H3
InChIKeyLECLSWMSLCMXOU-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

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Related Compounds

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685480
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
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
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685676

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685475) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is CCNc1snnc1Cn1cnc2c(C)csc2c1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is LECLSWMSLCMXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS2/c1-3-13-11-8(15-16-20-11)4-17-6-14-9-7(2)5-19-10(9)12(17)18/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[[5-(ethylamino)thiadiazol-4-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)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).