[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

C19H23N3OS — CID 129461334

IUPAC[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)sc1C
InChIInChI=1S/C19H23N3OS/c1-12-13(2)24-18(21-12)15-6-4-8-22(11-15)19(23)17-9-16(17)14-5-3-7-20-10-14/h3,5,7,10,15-17H,4,6,8-9,11H2,1-2H3/t15-,16+,17-/m1/s1
InChIKeyGPDCPHWYXFSSHX-IXDOHACOSA-N
MW341.48 g/mol
LogP3.66
Rot. Bonds3

About [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 129461334) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID129461334
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)sc1C
InChIInChI=1S/C19H23N3OS/c1-12-13(2)24-18(21-12)15-6-4-8-22(11-15)19(23)17-9-16(17)14-5-3-7-20-10-14/h3,5,7,10,15-17H,4,6,8-9,11H2,1-2H3/t15-,16+,17-/m1/s1
InChIKeyGPDCPHWYXFSSHX-IXDOHACOSA-N
XLogP3.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone with MolForge

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Related Compounds

[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461309
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95777950
[1-(2,2-difluoroethyl)azetidin-3-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 138036814
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 95777919
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95777886
(2R)-1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95777810
[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100839992
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95777816
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 129490413

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (CID 129461334) is [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)sc1C.
What is the InChIKey of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is GPDCPHWYXFSSHX-IXDOHACOSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-12-13(2)24-18(21-12)15-6-4-8-22(11-15)19(23)17-9-16(17)14-5-3-7-20-10-14/h3,5,7,10,15-17H,4,6,8-9,11H2,1-2H3/t15-,16+,17-/m1/s1.
What are the key properties of [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 341.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 129461334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).