(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone

C13H19N3OS — CID 134380028

IUPAC(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)c1cncs1
InChIInChI=1S/C13H19N3OS/c1-9(2)15-6-10-3-4-11(7-15)16(10)13(17)12-5-14-8-18-12/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeySKXFTIRVDDDTAH-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.84
Rot. Bonds2

About (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone

(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 134380028) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID134380028
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)c1cncs1
InChIInChI=1S/C13H19N3OS/c1-9(2)15-6-10-3-4-11(7-15)16(10)13(17)12-5-14-8-18-12/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeySKXFTIRVDDDTAH-UHFFFAOYSA-N
XLogP1.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone (CID 134380028) is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone is CC(C)N1CC2CCC(C1)N2C(=O)c1cncs1.
What is the InChIKey of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is SKXFTIRVDDDTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(2)15-6-10-3-4-11(7-15)16(10)13(17)12-5-14-8-18-12/h5,8-11H,3-4,6-7H2,1-2H3.
What are the key properties of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone?
(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 134380028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).