N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C12H15N3O2S — CID 51530488

IUPACN-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1cnc2n(c1=O)[C@H](CC(=O)NC1CC1)CS2
InChIInChI=1S/C12H15N3O2S/c1-7-5-13-12-15(11(7)17)9(6-18-12)4-10(16)14-8-2-3-8/h5,8-9H,2-4,6H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyUDLFTJIYJCWELD-SECBINFHSA-N
MW265.34 g/mol
LogP0.87
Rot. Bonds3

About N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 51530488) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID51530488
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1cnc2n(c1=O)[C@H](CC(=O)NC1CC1)CS2
InChIInChI=1S/C12H15N3O2S/c1-7-5-13-12-15(11(7)17)9(6-18-12)4-10(16)14-8-2-3-8/h5,8-9H,2-4,6H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyUDLFTJIYJCWELD-SECBINFHSA-N
XLogP0.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 51530488) is N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1cnc2n(c1=O)[C@H](CC(=O)NC1CC1)CS2.
What is the InChIKey of N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is UDLFTJIYJCWELD-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-5-13-12-15(11(7)17)9(6-18-12)4-10(16)14-8-2-3-8/h5,8-9H,2-4,6H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 265.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 51530488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).