(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide

C16H17N3O2S — CID 154871747

IUPAC(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1ncc(-c2cccnc2)s1)C1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C16H17N3O2S/c20-15(11-6-12-3-4-13(7-11)21-12)19-16-18-9-14(22-16)10-2-1-5-17-8-10/h1-2,5,8-9,11-13H,3-4,6-7H2,(H,18,19,20)/t11?,12-,13+
InChIKeyAJOCHSMFEKIBGZ-YHWZYXNKSA-N
MW315.40 g/mol
LogP3.10
Rot. Bonds3

About (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide

(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 154871747) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
PubChem CID154871747
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1ncc(-c2cccnc2)s1)C1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C16H17N3O2S/c20-15(11-6-12-3-4-13(7-11)21-12)19-16-18-9-14(22-16)10-2-1-5-17-8-10/h1-2,5,8-9,11-13H,3-4,6-7H2,(H,18,19,20)/t11?,12-,13+
InChIKeyAJOCHSMFEKIBGZ-YHWZYXNKSA-N
XLogP3.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
N-(5-pyridin-3-yl-1,3-thiazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
CID 168958121
(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide
CID 166296406
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
(3S)-1-ethynyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329438
1-methyl-N-[5-(1,7-naphthyridin-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 168925803
5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773853

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide (CID 154871747) is (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide is O=C(Nc1ncc(-c2cccnc2)s1)C1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is AJOCHSMFEKIBGZ-YHWZYXNKSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(11-6-12-3-4-13(7-11)21-12)19-16-18-9-14(22-16)10-2-1-5-17-8-10/h1-2,5,8-9,11-13H,3-4,6-7H2,(H,18,19,20)/t11?,12-,13+.
What are the key properties of (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide?
(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 154871747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).