N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide

C16H20N4O2S — CID 119839215

IUPACN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CNCCO1
InChIInChI=1S/C16H20N4O2S/c21-15(13-10-17-5-8-22-13)18-11-3-4-12-14(9-11)23-16(19-12)20-6-1-2-7-20/h3-4,9,13,17H,1-2,5-8,10H2,(H,18,21)
InChIKeyDTVBFZMDLVMBEA-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.82
Rot. Bonds3

About N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide

N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide (PubChem CID 119839215) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide
PubChem CID119839215
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CNCCO1
InChIInChI=1S/C16H20N4O2S/c21-15(13-10-17-5-8-22-13)18-11-3-4-12-14(9-11)23-16(19-12)20-6-1-2-7-20/h3-4,9,13,17H,1-2,5-8,10H2,(H,18,21)
InChIKeyDTVBFZMDLVMBEA-UHFFFAOYSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
CID 119833487
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152
(2S,5R)-5-(aminomethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797486
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
CID 42932681
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119839175

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide (CID 119839215) is N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide is O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CNCCO1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide?
The InChIKey is DTVBFZMDLVMBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-15(13-10-17-5-8-22-13)18-11-3-4-12-14(9-11)23-16(19-12)20-6-1-2-7-20/h3-4,9,13,17H,1-2,5-8,10H2,(H,18,21).
What are the key properties of N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide?
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide is sourced from PubChem (CID 119839215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).