N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

C20H23N5O3S — CID 135667497

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C20H23N5O3S/c1-13-14(19(27)24-20(22-13)25-8-10-28-11-9-25)6-7-17(26)21-12-18-23-15-4-2-3-5-16(15)29-18/h2-5H,6-12H2,1H3,(H,21,26)(H,22,24,27)
InChIKeyALDAADJCOOQVFO-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.77
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135667497) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135667497
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C20H23N5O3S/c1-13-14(19(27)24-20(22-13)25-8-10-28-11-9-25)6-7-17(26)21-12-18-23-15-4-2-3-5-16(15)29-18/h2-5H,6-12H2,1H3,(H,21,26)(H,22,24,27)
InChIKeyALDAADJCOOQVFO-UHFFFAOYSA-N
XLogP1.77
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135892671
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137295643
N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137294523
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135794890
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 137232151
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 135737751
N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136535120
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135931467
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-pyrimidin-6-one
CID 135903795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135667497) is N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is ALDAADJCOOQVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-13-14(19(27)24-20(22-13)25-8-10-28-11-9-25)6-7-17(26)21-12-18-23-15-4-2-3-5-16(15)29-18/h2-5H,6-12H2,1H3,(H,21,26)(H,22,24,27).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 413.50 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135667497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).