1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C18H24N3OS+ — CID 7666433

IUPAC1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCc1csc2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(=O)n12
InChIInChI=1S/C18H23N3OS/c1-11-10-23-17-20-15(5-16(22)21(11)17)9-19-18-6-12-2-13(7-18)4-14(3-12)8-18/h5,10,12-14,19H,2-4,6-9H2,1H3/p+1
InChIKeyJWVGCYRTRUDMIK-UHFFFAOYSA-O
MW330.48 g/mol
LogP2.10
Rot. Bonds3

About 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 7666433) has the molecular formula C18H24N3OS+ and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID7666433
Molecular FormulaC18H24N3OS+
Molecular Weight330.48 g/mol
Exact Mass330.16
IUPAC Name1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCc1csc2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(=O)n12
InChIInChI=1S/C18H23N3OS/c1-11-10-23-17-20-15(5-16(22)21(11)17)9-19-18-6-12-2-13(7-18)4-14(3-12)8-18/h5,10,12-14,19H,2-4,6-9H2,1H3/p+1
InChIKeyJWVGCYRTRUDMIK-UHFFFAOYSA-O
XLogP2.10
TPSA50.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(adamantan-1-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 168355161
N-[1-(adamantan-1-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 168355162
N-(3,5-dimethyladamant-1-yl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 168355164
2-({2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl}thio)-6-aminopyrimidin-4(3H)-one
CID 135413628
N-1-adamantyl-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135414813
1-Adamantyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 7536826
7-[(1-Adamantylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7536827
7-[(1-Adamantylamino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7666434
1-Adamantyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]azanium
CID 9249470
2-[(1-Adamantylamino)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 9249471
7-[[1-(1-Adamantyl)ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16329776
7-[[1-Adamantyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22194411

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 7666433) is 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is Cc1csc2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(=O)n12.
What is the InChIKey of 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is JWVGCYRTRUDMIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3OS/c1-11-10-23-17-20-15(5-16(22)21(11)17)9-19-18-6-12-2-13(7-18)4-14(3-12)8-18/h5,10,12-14,19H,2-4,6-9H2,1H3/p+1.
What are the key properties of 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 330.48 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 7666433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).