N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S — CID 94891375

IUPACN-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H17N3O3S/c1-2-16(8-10-3-5-20-9-10)12(18)11-7-15-14-17(13(11)19)4-6-21-14/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1
InChIKeyGYWVTGHDJHSTAY-JTQLQIEISA-N
MW307.38 g/mol
LogP1.25
Rot. Bonds4

About N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 94891375) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID94891375
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C14H17N3O3S/c1-2-16(8-10-3-5-20-9-10)12(18)11-7-15-14-17(13(11)19)4-6-21-14/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1
InChIKeyGYWVTGHDJHSTAY-JTQLQIEISA-N
XLogP1.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 94891375) is N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(C[C@@H]1CCOC1)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GYWVTGHDJHSTAY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-16(8-10-3-5-20-9-10)12(18)11-7-15-14-17(13(11)19)4-6-21-14/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 94891375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).