2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C21H25N3O2S — CID 138380472

IUPAC2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC/C=C/c1ccccc1)C1CCc2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C21H25N3O2S/c25-20(22-10-4-7-16-5-2-1-3-6-16)17-8-9-19-18(15-17)23-21(27-19)24-11-13-26-14-12-24/h1-7,17H,8-15H2,(H,22,25)/b7-4+
InChIKeyPABURISDHQKJEG-QPJJXVBHSA-N
MW383.52 g/mol
LogP2.91
Rot. Bonds5

About 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138380472) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138380472
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC/C=C/c1ccccc1)C1CCc2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C21H25N3O2S/c25-20(22-10-4-7-16-5-2-1-3-6-16)17-8-9-19-18(15-17)23-21(27-19)24-11-13-26-14-12-24/h1-7,17H,8-15H2,(H,22,25)/b7-4+
InChIKeyPABURISDHQKJEG-QPJJXVBHSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384777
N-[3-(3-methylphenyl)propyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138385548
2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138385467
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382384
N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384008
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138386381
2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138808421
N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384883
1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide
CID 138384583
formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone
CID 154919202
(6S)-N-benzyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109600
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138380472) is 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is O=C(NC/C=C/c1ccccc1)C1CCc2sc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is PABURISDHQKJEG-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20(22-10-4-7-16-5-2-1-3-6-16)17-8-9-19-18(15-17)23-21(27-19)24-11-13-26-14-12-24/h1-7,17H,8-15H2,(H,22,25)/b7-4+.
What are the key properties of 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138380472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).