4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine

C18H22N2OS — CID 50974345

IUPAC4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine
SMILESc1ccc(-c2nc3c(s2)CCCC3)c(CN2CCOCC2)c1
InChIInChI=1S/C18H22N2OS/c1-2-6-15(14(5-1)13-20-9-11-21-12-10-20)18-19-16-7-3-4-8-17(16)22-18/h1-2,5-6H,3-4,7-13H2
InChIKeyBBOWBSMRSNBQNF-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.52
Rot. Bonds3

About 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine

4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine (PubChem CID 50974345) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine
PubChem CID50974345
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine
SMILESc1ccc(-c2nc3c(s2)CCCC3)c(CN2CCOCC2)c1
InChIInChI=1S/C18H22N2OS/c1-2-6-15(14(5-1)13-20-9-11-21-12-10-20)18-19-16-7-3-4-8-17(16)22-18/h1-2,5-6H,3-4,7-13H2
InChIKeyBBOWBSMRSNBQNF-UHFFFAOYSA-N
XLogP3.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 79831949
2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 82081689
2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 79831749
2-morpholin-4-yl-6-[2-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 74235769
N-ethyl-6-[2-(morpholin-4-ylmethyl)phenyl]pyridazin-3-amine
CID 72889282
2-[4-(piperazin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;dihydrochloride
CID 82021800
1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 155687565
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
4-[[2-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]phenyl]methyl]morpholine
CID 56872749
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
3-(morpholin-4-ylmethyl)naphthalen-2-amine
CID 61214111
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine (CID 50974345) is 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine is c1ccc(-c2nc3c(s2)CCCC3)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine?
The InChIKey is BBOWBSMRSNBQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-6-15(14(5-1)13-20-9-11-21-12-10-20)18-19-16-7-3-4-8-17(16)22-18/h1-2,5-6H,3-4,7-13H2.
What are the key properties of 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine?
4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine has a molecular weight of 314.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 50974345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).