[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone

C18H21N3O3S — CID 162423070

IUPAC[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+
InChIKeyUBMOUBBRNPNZPM-TXEJJXNPSA-N
MW359.45 g/mol
LogP3.73
Rot. Bonds3

About [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone

[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 162423070) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID162423070
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1
InChIInChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+
InChIKeyUBMOUBBRNPNZPM-TXEJJXNPSA-N
XLogP3.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-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

CID 71818573
CID 71818573
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 56944680
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818432
(2,3-Dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone
CID 71818433
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71818577
[2-(1,3-benzodioxol-5-ylamino)-5-methyl-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71818578
N-1,3-benzodioxol-5-yl-N'-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 2956959
N-Benzo[1,3]dioxol-5-yl-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205573
N-Cyclopentylcarbamoylmethyl-N-(3,4-dimethoxy-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3210657
N-(3,4-dimethoxyphenyl)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24818950

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone (CID 162423070) is [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1.
What is the InChIKey of [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is UBMOUBBRNPNZPM-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+.
What are the key properties of [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone?
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 359.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 162423070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).