N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide

C21H20N4O2S2 — CID 18583007

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C21H20N4O2S2/c26-20(19-22-15-5-1-3-7-17(15)28-19)25(10-9-24-11-13-27-14-12-24)21-23-16-6-2-4-8-18(16)29-21/h1-8H,9-14H2
InChIKeyMCZJEZSHUGUVEU-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.88
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 18583007) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
PubChem CID18583007
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C21H20N4O2S2/c26-20(19-22-15-5-1-3-7-17(15)28-19)25(10-9-24-11-13-27-14-12-24)21-23-16-6-2-4-8-18(16)29-21/h1-8H,9-14H2
InChIKeyMCZJEZSHUGUVEU-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide (CID 18583007) is N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide is O=C(c1nc2ccccc2s1)N(CCN1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is MCZJEZSHUGUVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c26-20(19-22-15-5-1-3-7-17(15)28-19)25(10-9-24-11-13-27-14-12-24)21-23-16-6-2-4-8-18(16)29-21/h1-8H,9-14H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 18583007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).