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

C18H27N3O2S — CID 16868633

IUPACN-cycloheptyl-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)NC1CCCCCC1
InChIInChI=1S/C18H27N3O2S/c1-12(2)15-10-17(23)21-14(11-24-18(21)20-15)9-16(22)19-13-7-5-3-4-6-8-13/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)
InChIKeyUZDVLMNEKMFALW-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.24
Rot. Bonds4

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

N-cycloheptyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868633) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868633
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-cycloheptyl-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)NC1CCCCCC1
InChIInChI=1S/C18H27N3O2S/c1-12(2)15-10-17(23)21-14(11-24-18(21)20-15)9-16(22)19-13-7-5-3-4-6-8-13/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)
InChIKeyUZDVLMNEKMFALW-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-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-cycloheptyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868633) is N-cycloheptyl-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-cycloheptyl-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-cycloheptyl-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)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is UZDVLMNEKMFALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(2)15-10-17(23)21-14(11-24-18(21)20-15)9-16(22)19-13-7-5-3-4-6-8-13/h10,12-14H,3-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-cycloheptyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-cycloheptyl-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 349.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-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 16868633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).