N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H17N3OS — CID 119033132

IUPACN-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1cncc(-c2ncc(CNC3CC4CCC3O4)s2)c1
InChIInChI=1S/C15H17N3OS/c1-2-10(7-16-5-1)15-18-9-12(20-15)8-17-13-6-11-3-4-14(13)19-11/h1-2,5,7,9,11,13-14,17H,3-4,6,8H2
InChIKeyBFPJYUCRDKHIJS-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.61
Rot. Bonds4

About N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 119033132) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID119033132
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESc1cncc(-c2ncc(CNC3CC4CCC3O4)s2)c1
InChIInChI=1S/C15H17N3OS/c1-2-10(7-16-5-1)15-18-9-12(20-15)8-17-13-6-11-3-4-14(13)19-11/h1-2,5,7,9,11,13-14,17H,3-4,6,8H2
InChIKeyBFPJYUCRDKHIJS-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611628
N-[(2-chloro-3-pyridinyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115694963
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602680
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 97252891

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 119033132) is N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is c1cncc(-c2ncc(CNC3CC4CCC3O4)s2)c1.
What is the InChIKey of N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is BFPJYUCRDKHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-10(7-16-5-1)15-18-9-12(20-15)8-17-13-6-11-3-4-14(13)19-11/h1-2,5,7,9,11,13-14,17H,3-4,6,8H2.
What are the key properties of N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 287.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 119033132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).