(4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone

C14H19N3OS — CID 163521924

IUPAC(4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone
SMILESCC(C)N1CC2C3CC(C1)N(C(=O)c1cncs1)C32
InChIInChI=1S/C14H19N3OS/c1-8(2)16-5-9-3-10-11(6-16)13(10)17(9)14(18)12-4-15-7-19-12/h4,7-11,13H,3,5-6H2,1-2H3
InChIKeyDLOBJKIYORDSKE-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.70
Rot. Bonds2

About (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone

(4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 163521924) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID163521924
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone
SMILESCC(C)N1CC2C3CC(C1)N(C(=O)c1cncs1)C32
InChIInChI=1S/C14H19N3OS/c1-8(2)16-5-9-3-10-11(6-16)13(10)17(9)14(18)12-4-15-7-19-12/h4,7-11,13H,3,5-6H2,1-2H3
InChIKeyDLOBJKIYORDSKE-UHFFFAOYSA-N
XLogP1.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone (CID 163521924) is (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone is CC(C)N1CC2C3CC(C1)N(C(=O)c1cncs1)C32.
What is the InChIKey of (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is DLOBJKIYORDSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-8(2)16-5-9-3-10-11(6-16)13(10)17(9)14(18)12-4-15-7-19-12/h4,7-11,13H,3,5-6H2,1-2H3.
What are the key properties of (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone?
(4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 277.39 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-4,7-diazatricyclo[4.2.1.02,8]nonan-7-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 163521924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).