4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine

C18H20N4OS — CID 138053151

IUPAC4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCc3cccc(N4CCOCC4)n3)nc12
InChIInChI=1S/C18H20N4OS/c1-13-4-2-6-15-17(13)21-18(24-15)19-12-14-5-3-7-16(20-14)22-8-10-23-11-9-22/h2-7H,8-12H2,1H3,(H,19,21)
InChIKeyYSXHAANWCREECV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.45
Rot. Bonds4

About 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine

4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 138053151) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID138053151
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCc3cccc(N4CCOCC4)n3)nc12
InChIInChI=1S/C18H20N4OS/c1-13-4-2-6-15-17(13)21-18(24-15)19-12-14-5-3-7-16(20-14)22-8-10-23-11-9-22/h2-7H,8-12H2,1H3,(H,19,21)
InChIKeyYSXHAANWCREECV-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine (CID 138053151) is 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCc3cccc(N4CCOCC4)n3)nc12.
What is the InChIKey of 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is YSXHAANWCREECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-4-2-6-15-17(13)21-18(24-15)19-12-14-5-3-7-16(20-14)22-8-10-23-11-9-22/h2-7H,8-12H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 340.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 138053151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).