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

C15H23N3O2S — CID 16868615

IUPACN-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C15H23N3O2S/c1-4-5-6-16-13(19)7-11-9-21-15-17-12(10(2)3)8-14(20)18(11)15/h8,10-11H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyMEDSMBOMSAMSOH-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.32
Rot. Bonds6

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

N-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868615) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868615
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C15H23N3O2S/c1-4-5-6-16-13(19)7-11-9-21-15-17-12(10(2)3)8-14(20)18(11)15/h8,10-11H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyMEDSMBOMSAMSOH-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135690273
N-cyclopentyl-2-[(4-isopropyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135491354
6-ethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561501
N-isopropyl(6-methyl-4-oxo-1-thia-3a,7-diaza-3-indanyl)acetamide
CID 16867897
N-(3-isopropoxypropyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867905
N-isobutyl-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868617
2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16868630
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868631
N-allyl-2-((5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561956
N-ethyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867894
2-{7-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-propylacetamide
CID 16867895
N-butan-2-yl-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867899

Frequently Asked Questions

What is the IUPAC name of N-butyl-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-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868615) is N-butyl-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-butyl-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-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of N-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is MEDSMBOMSAMSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-5-6-16-13(19)7-11-9-21-15-17-12(10(2)3)8-14(20)18(11)15/h8,10-11H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of N-butyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-butyl-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 309.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-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 16868615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).