(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone

C16H17N3OS — CID 155961272

IUPAC(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESNc1nc(C(=O)N2C[C@H]3CC[C@H]3C2)c(-c2ccccc2)s1
InChIInChI=1S/C16H17N3OS/c17-16-18-13(14(21-16)10-4-2-1-3-5-10)15(20)19-8-11-6-7-12(11)9-19/h1-5,11-12H,6-9H2,(H2,17,18)/t11-,12+
InChIKeyWHAKFFWCKICYNW-TXEJJXNPSA-N
MW299.40 g/mol
LogP2.87
Rot. Bonds2

About (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone

(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone (PubChem CID 155961272) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone
PubChem CID155961272
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESNc1nc(C(=O)N2C[C@H]3CC[C@H]3C2)c(-c2ccccc2)s1
InChIInChI=1S/C16H17N3OS/c17-16-18-13(14(21-16)10-4-2-1-3-5-10)15(20)19-8-11-6-7-12(11)9-19/h1-5,11-12H,6-9H2,(H2,17,18)/t11-,12+
InChIKeyWHAKFFWCKICYNW-TXEJJXNPSA-N
XLogP2.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The IUPAC name of (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone (CID 155961272) is (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone.
What is the SMILES notation for (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The canonical SMILES for (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone is Nc1nc(C(=O)N2C[C@H]3CC[C@H]3C2)c(-c2ccccc2)s1.
What is the InChIKey of (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The InChIKey is WHAKFFWCKICYNW-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-16-18-13(14(21-16)10-4-2-1-3-5-10)15(20)19-8-11-6-7-12(11)9-19/h1-5,11-12H,6-9H2,(H2,17,18)/t11-,12+.
What are the key properties of (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone has a molecular weight of 299.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone is sourced from PubChem (CID 155961272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).