N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C23H37N3O2S — CID 16868634

IUPACN-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H37N3O2S/c1-17(2)20-15-22(28)26-19(16-29-23(26)25-20)14-21(27)24-18-12-10-8-6-4-3-5-7-9-11-13-18/h15,17-19H,3-14,16H2,1-2H3,(H,24,27)
InChIKeyXIHKBMLNTCBNNR-UHFFFAOYSA-N
MW419.64 g/mol
LogP5.19
Rot. Bonds4

About N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868634) has the molecular formula C23H37N3O2S and a molecular weight of 419.64 g/mol. Its IUPAC name is N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868634
Molecular FormulaC23H37N3O2S
Molecular Weight419.64 g/mol
Exact Mass419.26
IUPAC NameN-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H37N3O2S/c1-17(2)20-15-22(28)26-19(16-29-23(26)25-20)14-21(27)24-18-12-10-8-6-4-3-5-7-9-11-13-18/h15,17-19H,3-14,16H2,1-2H3,(H,24,27)
InChIKeyXIHKBMLNTCBNNR-UHFFFAOYSA-N
XLogP5.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868634) is N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is XIHKBMLNTCBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2S/c1-17(2)20-15-22(28)26-19(16-29-23(26)25-20)14-21(27)24-18-12-10-8-6-4-3-5-7-9-11-13-18/h15,17-19H,3-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 419.64 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).