N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C21H27N3O3S — CID 138384008

IUPACN-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(C1CCc2sc(N3CCOCC3)nc2C1)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H27N3O3S/c25-11-8-24(15-16-4-2-1-3-5-16)20(26)17-6-7-19-18(14-17)22-21(28-19)23-9-12-27-13-10-23/h1-5,17,25H,6-15H2
InChIKeyZGUXBBVIJWGTIM-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.11
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138384008) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138384008
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(C1CCc2sc(N3CCOCC3)nc2C1)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H27N3O3S/c25-11-8-24(15-16-4-2-1-3-5-16)20(26)17-6-7-19-18(14-17)22-21(28-19)23-9-12-27-13-10-23/h1-5,17,25H,6-15H2
InChIKeyZGUXBBVIJWGTIM-UHFFFAOYSA-N
XLogP2.11
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138380472
2-morpholin-4-yl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384777
formic acid;N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 154919111
acetic acid;N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 154921769
N-[3-(3-methylphenyl)propyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138385548
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
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628312
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-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384883
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138386381
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138384008) is N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is O=C(C1CCc2sc(N3CCOCC3)nc2C1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is ZGUXBBVIJWGTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c25-11-8-24(15-16-4-2-1-3-5-16)20(26)17-6-7-19-18(14-17)22-21(28-19)23-9-12-27-13-10-23/h1-5,17,25H,6-15H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138384008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).