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

C18H20FN3O3S — CID 87157894

IUPAC(2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone
SMILESCC1CCCN(C(=O)c2csc(Nc3ccc4c(c3F)OCO4)n2)C1C
InChIInChI=1S/C18H20FN3O3S/c1-10-4-3-7-22(11(10)2)17(23)13-8-26-18(21-13)20-12-5-6-14-16(15(12)19)25-9-24-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyLRKKKQHRUHVGKK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds3

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

(2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone (PubChem CID 87157894) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone
PubChem CID87157894
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone
SMILESCC1CCCN(C(=O)c2csc(Nc3ccc4c(c3F)OCO4)n2)C1C
InChIInChI=1S/C18H20FN3O3S/c1-10-4-3-7-22(11(10)2)17(23)13-8-26-18(21-13)20-12-5-6-14-16(15(12)19)25-9-24-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,20,21)
InChIKeyLRKKKQHRUHVGKK-UHFFFAOYSA-N
XLogP4.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-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
N-Benzo[1,3]dioxol-5-yl-2-{4-[4-(4-fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 647105
N-Benzo[1,3]dioxol-5-yl-2-{4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazin-1-yl}-acetamide
CID 647738

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone (CID 87157894) is (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone is CC1CCCN(C(=O)c2csc(Nc3ccc4c(c3F)OCO4)n2)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone?
The InChIKey is LRKKKQHRUHVGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-10-4-3-7-22(11(10)2)17(23)13-8-26-18(21-13)20-12-5-6-14-16(15(12)19)25-9-24-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,20,21).
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone?
(2,3-dimethylpiperidin-1-yl)-[2-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 4.02, 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-[(4-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 87157894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).