N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

C15H18N4O3S — CID 3163704

IUPACN-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(=O)Nc1ccc2sc(NC(=O)CN3CCOCC3)nc2c1
InChIInChI=1S/C15H18N4O3S/c1-10(20)16-11-2-3-13-12(8-11)17-15(23-13)18-14(21)9-19-4-6-22-7-5-19/h2-3,8H,4-7,9H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyNKMPJTRTYWATJP-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.53
Rot. Bonds4

About N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 3163704) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID3163704
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(=O)Nc1ccc2sc(NC(=O)CN3CCOCC3)nc2c1
InChIInChI=1S/C15H18N4O3S/c1-10(20)16-11-2-3-13-12(8-11)17-15(23-13)18-14(21)9-19-4-6-22-7-5-19/h2-3,8H,4-7,9H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyNKMPJTRTYWATJP-UHFFFAOYSA-N
XLogP1.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Morpholinyl)benzothiazole
CID 77901
5-(1,3-Benzothiazol-2-Yl)-2-(Morpholin-4-Yl)-6-[(3r)-Piperidin-3-Ylamino]pyrimidin-4(3h)-One
CID 135567025
N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1271512
4-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191997
N-(5-amino-1,3-benzothiazol-2-yl)acetamide
CID 810335
N-(1,3-benzothiazol-2-yl)-2-ethoxyacetamide
CID 1729135
4-[[(3R)-azepan-3-yl]amino]-5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136508720
5-(1,3-benzothiazol-2-yl)-4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136932639
5-(1,3-benzothiazol-2-yl)-4-[[(3R,6R)-6-methylpiperidin-3-yl]amino]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136932640
4-[(3-aminocyclohexyl)amino]-5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136983853

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 3163704) is N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is CC(=O)Nc1ccc2sc(NC(=O)CN3CCOCC3)nc2c1.
What is the InChIKey of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is NKMPJTRTYWATJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(20)16-11-2-3-13-12(8-11)17-15(23-13)18-14(21)9-19-4-6-22-7-5-19/h2-3,8H,4-7,9H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 334.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3163704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).