4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C21H23N3O2S — CID 146405958

IUPAC4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C21H23N3O2S/c1-14(2)16-5-8-18-19(13-16)27-21(22-18)23-20(25)15-3-6-17(7-4-15)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)
InChIKeyHPIYMKMTJVEICQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.51
Rot. Bonds4

About 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 146405958) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID146405958
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCC(C)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C21H23N3O2S/c1-14(2)16-5-8-18-19(13-16)27-21(22-18)23-20(25)15-3-6-17(7-4-15)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)
InChIKeyHPIYMKMTJVEICQ-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 146405958) is 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CC(C)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1.
What is the InChIKey of 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HPIYMKMTJVEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)16-5-8-18-19(13-16)27-21(22-18)23-20(25)15-3-6-17(7-4-15)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25).
What are the key properties of 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 146405958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).