2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide

C16H25N3O2S — CID 120786534

IUPAC2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESCCC1CCc2nc(NC(=O)C(N)C3CCOCC3)sc2C1
InChIInChI=1S/C16H25N3O2S/c1-2-10-3-4-12-13(9-10)22-16(18-12)19-15(20)14(17)11-5-7-21-8-6-11/h10-11,14H,2-9,17H2,1H3,(H,18,19,20)
InChIKeyYTDVKNSDVQEJJZ-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide

2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide (PubChem CID 120786534) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
PubChem CID120786534
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
SMILESCCC1CCc2nc(NC(=O)C(N)C3CCOCC3)sc2C1
InChIInChI=1S/C16H25N3O2S/c1-2-10-3-4-12-13(9-10)22-16(18-12)19-15(20)14(17)11-5-7-21-8-6-11/h10-11,14H,2-9,17H2,1H3,(H,18,19,20)
InChIKeyYTDVKNSDVQEJJZ-UHFFFAOYSA-N
XLogP2.35
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide (CID 120786534) is 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide is CCC1CCc2nc(NC(=O)C(N)C3CCOCC3)sc2C1.
What is the InChIKey of 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is YTDVKNSDVQEJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-10-3-4-12-13(9-10)22-16(18-12)19-15(20)14(17)11-5-7-21-8-6-11/h10-11,14H,2-9,17H2,1H3,(H,18,19,20).
What are the key properties of 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide?
2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120786534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).