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

C20H23N5O4S — CID 135794890

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)sc2c1
InChIInChI=1S/C20H23N5O4S/c1-12-14(18(27)24-19(21-12)25-7-9-29-10-8-25)4-6-17(26)23-20-22-15-5-3-13(28-2)11-16(15)30-20/h3,5,11H,4,6-10H2,1-2H3,(H,21,24,27)(H,22,23,26)
InChIKeyRYENIFGCSQNVGS-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.10
Rot. Bonds6

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135794890) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135794890
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)sc2c1
InChIInChI=1S/C20H23N5O4S/c1-12-14(18(27)24-19(21-12)25-7-9-29-10-8-25)4-6-17(26)23-20-22-15-5-3-13(28-2)11-16(15)30-20/h3,5,11H,4,6-10H2,1-2H3,(H,21,24,27)(H,22,23,26)
InChIKeyRYENIFGCSQNVGS-UHFFFAOYSA-N
XLogP2.10
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135927493
N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898059
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 46684094
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933
N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136535120
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 55436056
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 135758850
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
CID 110685502
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 154759871

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135794890) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is COc1ccc2nc(NC(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is RYENIFGCSQNVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-12-14(18(27)24-19(21-12)25-7-9-29-10-8-25)4-6-17(26)23-20-22-15-5-3-13(28-2)11-16(15)30-20/h3,5,11H,4,6-10H2,1-2H3,(H,21,24,27)(H,22,23,26).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 429.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135794890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).