(2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone

C19H22FN3O3S — CID 71818433

IUPAC(2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1sc(Nc2cc3c(cc2F)OCO3)nc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)
InChIKeySEMFMCZEFJOTEB-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.32
Rot. Bonds3

About (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone

(2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 71818433) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone
PubChem CID71818433
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1sc(Nc2cc3c(cc2F)OCO3)nc1C(=O)N1CCCC(C)C1C
InChIInChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)
InChIKeySEMFMCZEFJOTEB-UHFFFAOYSA-N
XLogP4.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 71818573
CID 71818573
[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-(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
[2-(1,3-benzodioxol-5-ylamino)-5-methyl-1,3-thiazol-4-yl]-(5-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 71818579
N-Benzo[1,3]dioxol-5-yl-2-{4-[4-(4-fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 647105
N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]acetamide
CID 651738
N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 91800644
(2-(Benzo[D][1,3]dioxol-5-ylamino)thiazol-4-YL)(3,5-dimethylpiperidin-1-YL)methanone
CID 84430250
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 162423070

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone (CID 71818433) is (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone is Cc1sc(Nc2cc3c(cc2F)OCO3)nc1C(=O)N1CCCC(C)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is SEMFMCZEFJOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22).
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone?
(2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71818433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).