N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H21N3O2S — CID 50953235

IUPACN-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CN(C/C=C/c1ccccc1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C20H21N3O2S/c1-15(2)14-22(10-6-9-16-7-4-3-5-8-16)18(24)17-13-21-20-23(19(17)25)11-12-26-20/h3-9,11-13,15H,10,14H2,1-2H3/b9-6+
InChIKeyXRTPMOFEYHGAHA-RMKNXTFCSA-N
MW367.47 g/mol
LogP3.57
Rot. Bonds6

About N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 50953235) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID50953235
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CN(C/C=C/c1ccccc1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C20H21N3O2S/c1-15(2)14-22(10-6-9-16-7-4-3-5-8-16)18(24)17-13-21-20-23(19(17)25)11-12-26-20/h3-9,11-13,15H,10,14H2,1-2H3/b9-6+
InChIKeyXRTPMOFEYHGAHA-RMKNXTFCSA-N
XLogP3.57
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 50953235) is N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CN(C/C=C/c1ccccc1)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XRTPMOFEYHGAHA-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15(2)14-22(10-6-9-16-7-4-3-5-8-16)18(24)17-13-21-20-23(19(17)25)11-12-26-20/h3-9,11-13,15H,10,14H2,1-2H3/b9-6+.
What are the key properties of N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 50953235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).