[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone

C18H23N3O3S — CID 138382938

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N1CCC(O)CC1)C2
InChIInChI=1S/C18H23N3O3S/c1-10-16(11(2)24-20-10)17-19-14-9-12(3-4-15(14)25-17)18(23)21-7-5-13(22)6-8-21/h12-13,22H,3-9H2,1-2H3
InChIKeyIURCJMPUCSUGFN-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.50
Rot. Bonds2

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 138382938) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID138382938
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N1CCC(O)CC1)C2
InChIInChI=1S/C18H23N3O3S/c1-10-16(11(2)24-20-10)17-19-14-9-12(3-4-15(14)25-17)18(23)21-7-5-13(22)6-8-21/h12-13,22H,3-9H2,1-2H3
InChIKeyIURCJMPUCSUGFN-UHFFFAOYSA-N
XLogP2.50
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 138377611
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384975
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138381509
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138387565
1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide
CID 138384583
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382920
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382384
formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone
CID 154919202
(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 138377906
[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone;hydrochloride
CID 154921909
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 125144490
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110129332

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 138382938) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone is Cc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N1CCC(O)CC1)C2.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is IURCJMPUCSUGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-10-16(11(2)24-20-10)17-19-14-9-12(3-4-15(14)25-17)18(23)21-7-5-13(22)6-8-21/h12-13,22H,3-9H2,1-2H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 361.47 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 138382938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).