2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C19H25N3OS — CID 25198379

IUPAC2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H25N3OS/c1-12-2-3-20-18(21-12)22-16(23)11-24-17(22)10-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15,17H,4-11H2,1H3
InChIKeySLIJYYCQWSWZDP-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.80
Rot. Bonds3

About 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 25198379) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID25198379
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H25N3OS/c1-12-2-3-20-18(21-12)22-16(23)11-24-17(22)10-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15,17H,4-11H2,1H3
InChIKeySLIJYYCQWSWZDP-UHFFFAOYSA-N
XLogP3.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 25198379) is 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2CC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is SLIJYYCQWSWZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-12-2-3-20-18(21-12)22-16(23)11-24-17(22)10-19-7-13-4-14(8-19)6-15(5-13)9-19/h2-3,13-15,17H,4-11H2,1H3.
What are the key properties of 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 343.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25198379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).