[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone

C19H23N3OS — CID 129461309

IUPAC[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccnc3)C2)n1
InChIInChI=1S/C19H23N3OS/c1-2-15-12-24-18(21-15)14-6-4-8-22(11-14)19(23)17-9-16(17)13-5-3-7-20-10-13/h3,5,7,10,12,14,16-17H,2,4,6,8-9,11H2,1H3/t14-,16+,17+/m1/s1
InChIKeyYJGMRJHZHJROIN-PVAVHDDUSA-N
MW341.48 g/mol
LogP3.61
Rot. Bonds4

About [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone

[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 129461309) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID129461309
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccnc3)C2)n1
InChIInChI=1S/C19H23N3OS/c1-2-15-12-24-18(21-15)14-6-4-8-22(11-14)19(23)17-9-16(17)13-5-3-7-20-10-13/h3,5,7,10,12,14,16-17H,2,4,6,8-9,11H2,1H3/t14-,16+,17+/m1/s1
InChIKeyYJGMRJHZHJROIN-PVAVHDDUSA-N
XLogP3.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone (CID 129461309) is [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone is CCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccnc3)C2)n1.
What is the InChIKey of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is YJGMRJHZHJROIN-PVAVHDDUSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-2-15-12-24-18(21-15)14-6-4-8-22(11-14)19(23)17-9-16(17)13-5-3-7-20-10-13/h3,5,7,10,12,14,16-17H,2,4,6,8-9,11H2,1H3/t14-,16+,17+/m1/s1.
What are the key properties of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone?
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 341.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 129461309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).