3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one

C12H13N3OS — CID 126857589

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(Cc2nc3c(s2)CCC3)c1=O
InChIInChI=1S/C12H13N3OS/c1-8-5-13-7-15(12(8)16)6-11-14-9-3-2-4-10(9)17-11/h5,7H,2-4,6H2,1H3
InChIKeyYDUWIEGAAVTPJE-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.55
Rot. Bonds2

About 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one (PubChem CID 126857589) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one
PubChem CID126857589
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one
SMILESCc1cncn(Cc2nc3c(s2)CCC3)c1=O
InChIInChI=1S/C12H13N3OS/c1-8-5-13-7-15(12(8)16)6-11-14-9-3-2-4-10(9)17-11/h5,7H,2-4,6H2,1H3
InChIKeyYDUWIEGAAVTPJE-UHFFFAOYSA-N
XLogP1.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 44060332
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 44060334
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72850116
6-tert-butyl-3-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126857700
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940854
3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940938
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941327
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-cyclopropyl-3,4-dihydropyrimidin-4-one
CID 126941797
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942273
6-tert-butyl-3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944513
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944932
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea
CID 154770411

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one (CID 126857589) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one is Cc1cncn(Cc2nc3c(s2)CCC3)c1=O.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one?
The InChIKey is YDUWIEGAAVTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-5-13-7-15(12(8)16)6-11-14-9-3-2-4-10(9)17-11/h5,7H,2-4,6H2,1H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5-methylpyrimidin-4-one is sourced from PubChem (CID 126857589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).