3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one

C15H24N4OS — CID 63607372

IUPAC3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one
SMILESCCCNC1CCCc2nc(N3CCNC(=O)C3C)sc21
InChIInChI=1S/C15H24N4OS/c1-3-7-16-11-5-4-6-12-13(11)21-15(18-12)19-9-8-17-14(20)10(19)2/h10-11,16H,3-9H2,1-2H3,(H,17,20)
InChIKeyNHPGJGOAUZLEJV-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.84
Rot. Bonds4

About 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one

3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one (PubChem CID 63607372) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one
PubChem CID63607372
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one
SMILESCCCNC1CCCc2nc(N3CCNC(=O)C3C)sc21
InChIInChI=1S/C15H24N4OS/c1-3-7-16-11-5-4-6-12-13(11)21-15(18-12)19-9-8-17-14(20)10(19)2/h10-11,16H,3-9H2,1-2H3,(H,17,20)
InChIKeyNHPGJGOAUZLEJV-UHFFFAOYSA-N
XLogP1.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one (CID 63607372) is 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one is CCCNC1CCCc2nc(N3CCNC(=O)C3C)sc21.
What is the InChIKey of 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one?
The InChIKey is NHPGJGOAUZLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-7-16-11-5-4-6-12-13(11)21-15(18-12)19-9-8-17-14(20)10(19)2/h10-11,16H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one?
3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one has a molecular weight of 308.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[7-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 63607372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).