(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone

C15H19N3O2S — CID 120569406

IUPAC(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C15H19N3O2S/c1-9-10(2)18(7-6-16-9)15(19)13-11(3)21-14(17-13)12-5-4-8-20-12/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyIEVYDVIXUQSRIU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.53
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone

(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 120569406) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
PubChem CID120569406
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C15H19N3O2S/c1-9-10(2)18(7-6-16-9)15(19)13-11(3)21-14(17-13)12-5-4-8-20-12/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyIEVYDVIXUQSRIU-UHFFFAOYSA-N
XLogP2.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94022022
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 134022945
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900533
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583079
1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167777
(3S)-1-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174167
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 30827996
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874467
2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39462105

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone (CID 120569406) is (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone is Cc1sc(-c2ccco2)nc1C(=O)N1CCNC(C)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is IEVYDVIXUQSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-10(2)18(7-6-16-9)15(19)13-11(3)21-14(17-13)12-5-4-8-20-12/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone?
(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 305.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 120569406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).