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N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide

C19H21N5O2S — CID 117088236

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C19H21N5O2S/c25-18(21-7-8-24-9-11-26-12-10-24)14-4-5-15-16(13-14)27-19(22-15)23-17-3-1-2-6-20-17/h1-6,13H,7-12H2,(H,21,25)(H,20,22,23)
InChIKeyXSEHIDJOPYQBOI-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.50
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide

N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide (PubChem CID 117088236) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
PubChem CID117088236
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C19H21N5O2S/c25-18(21-7-8-24-9-11-26-12-10-24)14-4-5-15-16(13-14)27-19(22-15)23-17-3-1-2-6-20-17/h1-6,13H,7-12H2,(H,21,25)(H,20,22,23)
InChIKeyXSEHIDJOPYQBOI-UHFFFAOYSA-N
XLogP2.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide (CID 117088236) is N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide is O=C(NCCN1CCOCC1)c1ccc2nc(Nc3ccccn3)sc2c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XSEHIDJOPYQBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-18(21-7-8-24-9-11-26-12-10-24)14-4-5-15-16(13-14)27-19(22-15)23-17-3-1-2-6-20-17/h1-6,13H,7-12H2,(H,21,25)(H,20,22,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117088236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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