2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

C22H27N5O3S — CID 43998045

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc2nc(N(CCN3CCOCC3)C(=O)Cn3cnc(C)c(C)c3=O)sc2c1
InChIInChI=1S/C22H27N5O3S/c1-15-4-5-18-19(12-15)31-22(24-18)27(7-6-25-8-10-30-11-9-25)20(28)13-26-14-23-17(3)16(2)21(26)29/h4-5,12,14H,6-11,13H2,1-3H3
InChIKeyVOOKVYJGRQRQDO-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.14
Rot. Bonds6

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 43998045) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID43998045
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc2nc(N(CCN3CCOCC3)C(=O)Cn3cnc(C)c(C)c3=O)sc2c1
InChIInChI=1S/C22H27N5O3S/c1-15-4-5-18-19(12-15)31-22(24-18)27(7-6-25-8-10-30-11-9-25)20(28)13-26-14-23-17(3)16(2)21(26)29/h4-5,12,14H,6-11,13H2,1-3H3
InChIKeyVOOKVYJGRQRQDO-UHFFFAOYSA-N
XLogP2.14
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997744
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 7622597
2-(4-chlorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137821
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43998068
2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997282
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43965016
2-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137888
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997703
3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137810
N-(6-bromo-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138176
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 121046784
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138026

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 43998045) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc2nc(N(CCN3CCOCC3)C(=O)Cn3cnc(C)c(C)c3=O)sc2c1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is VOOKVYJGRQRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15-4-5-18-19(12-15)31-22(24-18)27(7-6-25-8-10-30-11-9-25)20(28)13-26-14-23-17(3)16(2)21(26)29/h4-5,12,14H,6-11,13H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 441.56 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 43998045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).