(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C20H27N3O2S — CID 110628914

IUPAC(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C20H27N3O2S/c1-12(2)18-17(13(3)22-25-18)20(24)23-10-8-14(9-11-23)19-21-15-6-4-5-7-16(15)26-19/h12,14H,4-11H2,1-3H3
InChIKeyLAXIOXQXEYYQEK-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.46
Rot. Bonds3

About (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110628914) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110628914
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C20H27N3O2S/c1-12(2)18-17(13(3)22-25-18)20(24)23-10-8-14(9-11-23)19-21-15-6-4-5-7-16(15)26-19/h12,14H,4-11H2,1-3H3
InChIKeyLAXIOXQXEYYQEK-UHFFFAOYSA-N
XLogP4.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

2,2-dimethyl-1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110289961
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
N-(2-methylpropyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 110628908
ethyl 2-oxo-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]acetate
CID 110289985
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289960
(3,4-difluorophenyl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289983
pyridin-3-yl-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 110289978
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33173707
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
CID 136565999
[4-[6-(cyclobutadienyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 68824281

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 110628914) is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is Cc1noc(C(C)C)c1C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LAXIOXQXEYYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-12(2)18-17(13(3)22-25-18)20(24)23-10-8-14(9-11-23)19-21-15-6-4-5-7-16(15)26-19/h12,14H,4-11H2,1-3H3.
What are the key properties of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 373.52 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110628914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).