(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine

C18H18FN3OS — CID 141266277

IUPAC(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc3c(-c4ccccn4)nsc3c2F)C[C@H](C)O1
InChIInChI=1S/C18H18FN3OS/c1-11-9-22(10-12(2)23-11)15-7-6-13-17(14-5-3-4-8-20-14)21-24-18(13)16(15)19/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
InChIKeyCGCUZBGUCANLDR-TXEJJXNPSA-N
MW343.43 g/mol
LogP4.11
Rot. Bonds2

About (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine (PubChem CID 141266277) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine
PubChem CID141266277
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ccc3c(-c4ccccn4)nsc3c2F)C[C@H](C)O1
InChIInChI=1S/C18H18FN3OS/c1-11-9-22(10-12(2)23-11)15-7-6-13-17(14-5-3-4-8-20-14)21-24-18(13)16(15)19/h3-8,11-12H,9-10H2,1-2H3/t11-,12+
InChIKeyCGCUZBGUCANLDR-TXEJJXNPSA-N
XLogP4.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
CID 141266264
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
CID 91052837
8-(2,6-dimethylmorpholin-4-yl)quinolin-5-amine
CID 43450053
4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
CID 70839117
(2R,6S)-4-(8-methoxyquinolin-5-yl)-2,6-dimethylmorpholine
CID 118006697
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-difluoro-5-(pyridine-2-carbonyl)benzaldehyde
CID 87369152
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-pyrazol-4-yl)-1,2-benzoxazole
CID 141266261
7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
CID 86658114
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 60546795
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
CID 141266263
(2S,6R)-4-(3-fluoro-4-iodo-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774989

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine (CID 141266277) is (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2ccc3c(-c4ccccn4)nsc3c2F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine?
The InChIKey is CGCUZBGUCANLDR-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11-9-22(10-12(2)23-11)15-7-6-13-17(14-5-3-4-8-20-14)21-24-18(13)16(15)19/h3-8,11-12H,9-10H2,1-2H3/t11-,12+.
What are the key properties of (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine has a molecular weight of 343.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 141266277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).