(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C19H25N3O2S — CID 97155827

IUPAC(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C19H25N3O2S/c1-13(2)18-21-14(3)17(25-18)19(23)22-10-6-8-16(11-22)24-12-15-7-4-5-9-20-15/h4-5,7,9,13,16H,6,8,10-12H2,1-3H3/t16-/m1/s1
InChIKeyOCYQOCLPBOVILL-MRXNPFEDSA-N
MW359.50 g/mol
LogP3.79
Rot. Bonds5

About (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 97155827) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID97155827
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C19H25N3O2S/c1-13(2)18-21-14(3)17(25-18)19(23)22-10-6-8-16(11-22)24-12-15-7-4-5-9-20-15/h4-5,7,9,13,16H,6,8,10-12H2,1-3H3/t16-/m1/s1
InChIKeyOCYQOCLPBOVILL-MRXNPFEDSA-N
XLogP3.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327
5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 119068298
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70730800
(6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97142061
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72896278
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91778297
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 99935038

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 97155827) is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1.
What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is OCYQOCLPBOVILL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)18-21-14(3)17(25-18)19(23)22-10-6-8-16(11-22)24-12-15-7-4-5-9-20-15/h4-5,7,9,13,16H,6,8,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 97155827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).