N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C19H21N5O3S — CID 25182144

IUPACN-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCCN4CCOCC4)n3)cc2s1
InChIInChI=1S/C19H21N5O3S/c1-13(25)21-19-23-16-3-2-14(12-17(16)28-19)15-4-5-20-18(22-15)27-11-8-24-6-9-26-10-7-24/h2-5,12H,6-11H2,1H3,(H,21,23,25)
InChIKeyCLAVZRBREGWPLO-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.42
Rot. Bonds6

About N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25182144) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID25182144
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCCN4CCOCC4)n3)cc2s1
InChIInChI=1S/C19H21N5O3S/c1-13(25)21-19-23-16-3-2-14(12-17(16)28-19)15-4-5-20-18(22-15)27-11-8-24-6-9-26-10-7-24/h2-5,12H,6-11H2,1H3,(H,21,23,25)
InChIKeyCLAVZRBREGWPLO-UHFFFAOYSA-N
XLogP2.42
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 25182144) is N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(OCCN4CCOCC4)n3)cc2s1.
What is the InChIKey of N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is CLAVZRBREGWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13(25)21-19-23-16-3-2-14(12-17(16)28-19)15-4-5-20-18(22-15)27-11-8-24-6-9-26-10-7-24/h2-5,12H,6-11H2,1H3,(H,21,23,25).
What are the key properties of N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 399.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25182144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).