2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one

C14H20N2O2S — CID 11998447

IUPAC2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCCC1CC(=O)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H20N2O2S/c1-2-3-10-8-11-13(12(17)9-10)19-14(15-11)16-4-6-18-7-5-16/h10H,2-9H2,1H3
InChIKeyAOSUHMQSUDRPGF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.52
Rot. Bonds3

About 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 11998447) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID11998447
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCCC1CC(=O)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H20N2O2S/c1-2-3-10-8-11-13(12(17)9-10)19-14(15-11)16-4-6-18-7-5-16/h10H,2-9H2,1H3
InChIKeyAOSUHMQSUDRPGF-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 622262
2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
CID 616821
2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 617191
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 741973
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclohexane]-7-one
CID 11998445
rac-5-methyl-2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998448
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclopentane]-7-one
CID 16081736
2-(diethylamino)-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 2872481
2-(2-methoxyethylamino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44578037
N-{5-[(2-methyl-1-piperidinyl)carbonyl]-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl}cyclobutanecarboxamide
CID 45176063
5,5-Dimethyl-2-(3-methyl-2-oxo-5-propyl-1,3,5-triazinan-1-yl)-4,6-dihydro-1,3-benzothiazol-7-one
CID 13387698

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 11998447) is 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one is CCCC1CC(=O)c2sc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is AOSUHMQSUDRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-3-10-8-11-13(12(17)9-10)19-14(15-11)16-4-6-18-7-5-16/h10H,2-9H2,1H3.
What are the key properties of 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 280.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-propyl-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 11998447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).