2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide

C17H18N6O3S — CID 136983811

IUPAC2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CNc1nc(N2CCOCC2)[nH]c(=O)c1-c1nc2ccccc2s1
InChIInChI=1S/C17H18N6O3S/c18-12(24)9-19-14-13(16-20-10-3-1-2-4-11(10)27-16)15(25)22-17(21-14)23-5-7-26-8-6-23/h1-4H,5-9H2,(H2,18,24)(H2,19,21,22,25)
InChIKeyPWABELJJWRNBTG-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.78
Rot. Bonds5

About 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide

2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide (PubChem CID 136983811) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide
PubChem CID136983811
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide
SMILESNC(=O)CNc1nc(N2CCOCC2)[nH]c(=O)c1-c1nc2ccccc2s1
InChIInChI=1S/C17H18N6O3S/c18-12(24)9-19-14-13(16-20-10-3-1-2-4-11(10)27-16)15(25)22-17(21-14)23-5-7-26-8-6-23/h1-4H,5-9H2,(H2,18,24)(H2,19,21,22,25)
InChIKeyPWABELJJWRNBTG-UHFFFAOYSA-N
XLogP0.78
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide (CID 136983811) is 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide is NC(=O)CNc1nc(N2CCOCC2)[nH]c(=O)c1-c1nc2ccccc2s1.
What is the InChIKey of 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide?
The InChIKey is PWABELJJWRNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c18-12(24)9-19-14-13(16-20-10-3-1-2-4-11(10)27-16)15(25)22-17(21-14)23-5-7-26-8-6-23/h1-4H,5-9H2,(H2,18,24)(H2,19,21,22,25).
What are the key properties of 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide?
2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide has a molecular weight of 386.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 136983811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).