N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide

C15H16FN3O2S — CID 155981171

IUPACN-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(c2nc3ccc(F)cc3s2)CCO1
InChIInChI=1S/C15H16FN3O2S/c16-9-1-4-11-13(7-9)22-15(18-11)19-5-6-21-12(8-19)14(20)17-10-2-3-10/h1,4,7,10,12H,2-3,5-6,8H2,(H,17,20)
InChIKeySYFRWOMTMCZUTO-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.92
Rot. Bonds3

About N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide

N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide (PubChem CID 155981171) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
PubChem CID155981171
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(c2nc3ccc(F)cc3s2)CCO1
InChIInChI=1S/C15H16FN3O2S/c16-9-1-4-11-13(7-9)22-15(18-11)19-5-6-21-12(8-19)14(20)17-10-2-3-10/h1,4,7,10,12H,2-3,5-6,8H2,(H,17,20)
InChIKeySYFRWOMTMCZUTO-UHFFFAOYSA-N
XLogP1.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 166602759
4-(6-chloro-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602787
[4-(6-bromo-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981583
[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] cyclopropanecarboxylate
CID 90606531
cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
CID 86797984
4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602705
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 155975029
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide (CID 155981171) is N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide is O=C(NC1CC1)C1CN(c2nc3ccc(F)cc3s2)CCO1.
What is the InChIKey of N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide?
The InChIKey is SYFRWOMTMCZUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-9-1-4-11-13(7-9)22-15(18-11)19-5-6-21-12(8-19)14(20)17-10-2-3-10/h1,4,7,10,12H,2-3,5-6,8H2,(H,17,20).
What are the key properties of N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide?
N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 155981171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).