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

C15H21N3O2S — CID 16867755

IUPACN-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1CSc2nccc(=O)n21)NC1CCCCCC1
InChIInChI=1S/C15H21N3O2S/c19-13(17-11-5-3-1-2-4-6-11)9-12-10-21-15-16-8-7-14(20)18(12)15/h7-8,11-12H,1-6,9-10H2,(H,17,19)
InChIKeyILDCVKCDXIHYCM-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.12
Rot. Bonds3

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

N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16867755) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16867755
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1CSc2nccc(=O)n21)NC1CCCCCC1
InChIInChI=1S/C15H21N3O2S/c19-13(17-11-5-3-1-2-4-6-11)9-12-10-21-15-16-8-7-14(20)18(12)15/h7-8,11-12H,1-6,9-10H2,(H,17,19)
InChIKeyILDCVKCDXIHYCM-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2364724
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-cyclohexyl-5-oxo-
CID 4084303
N-cycloheptyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853307
N-cycloheptyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3277752
N-cyclododecyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4189746
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 44827428
N-cycloheptyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3450654
N-cycloheptyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4344882
N-butyl-N-methyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867712
3-(2-(azepan-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867715
3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867716
3-(2-(2-ethylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867720

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16867755) is N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is O=C(CC1CSc2nccc(=O)n21)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is ILDCVKCDXIHYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-13(17-11-5-3-1-2-4-6-11)9-12-10-21-15-16-8-7-14(20)18(12)15/h7-8,11-12H,1-6,9-10H2,(H,17,19).
What are the key properties of N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-cycloheptyl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.12, 3 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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16867755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).