[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone

C18H23N3O3S — CID 155981539

IUPAC[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2sc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1C
InChIInChI=1S/C18H23N3O3S/c1-12-3-4-15-16(13(12)2)19-18(25-15)21-7-10-24-14(11-21)17(22)20-5-8-23-9-6-20/h3-4,14H,5-11H2,1-2H3
InChIKeySBOJUYWIIZFSSU-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.98
Rot. Bonds2

About [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone

[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 155981539) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID155981539
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2sc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1C
InChIInChI=1S/C18H23N3O3S/c1-12-3-4-15-16(13(12)2)19-18(25-15)21-7-10-24-14(11-21)17(22)20-5-8-23-9-6-20/h3-4,14H,5-11H2,1-2H3
InChIKeySBOJUYWIIZFSSU-UHFFFAOYSA-N
XLogP1.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-bromo-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981583
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166606166
[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354169
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903709
morpholin-4-yl-[(2R)-4-pyrimidin-5-ylmorpholin-2-yl]methanone
CID 95841040
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7577711
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 146078030
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163346253
[1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354836

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone (CID 155981539) is [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone is Cc1ccc2sc(N3CCOC(C(=O)N4CCOCC4)C3)nc2c1C.
What is the InChIKey of [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SBOJUYWIIZFSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-3-4-15-16(13(12)2)19-18(25-15)21-7-10-24-14(11-21)17(22)20-5-8-23-9-6-20/h3-4,14H,5-11H2,1-2H3.
What are the key properties of [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone?
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 361.47 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155981539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).