[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

C13H15N3O2S — CID 94285993

IUPAC[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCc1nc(-c2ccco2)sc1C(=O)N1CCNCC1
InChIInChI=1S/C13H15N3O2S/c1-9-11(13(17)16-6-4-14-5-7-16)19-12(15-9)10-3-2-8-18-10/h2-3,8,14H,4-7H2,1H3
InChIKeyBQEKOHJQRZYPJV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.76
Rot. Bonds2

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

[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 94285993) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
PubChem CID94285993
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCc1nc(-c2ccco2)sc1C(=O)N1CCNCC1
InChIInChI=1S/C13H15N3O2S/c1-9-11(13(17)16-6-4-14-5-7-16)19-12(15-9)10-3-2-8-18-10/h2-3,8,14H,4-7H2,1H3
InChIKeyBQEKOHJQRZYPJV-UHFFFAOYSA-N
XLogP1.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82437452
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
[4-(2-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110694360
4-[2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-2-one
CID 35795709
[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]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (CID 94285993) is [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is Cc1nc(-c2ccco2)sc1C(=O)N1CCNCC1.
What is the InChIKey of [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is BQEKOHJQRZYPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-11(13(17)16-6-4-14-5-7-16)19-12(15-9)10-3-2-8-18-10/h2-3,8,14H,4-7H2,1H3.
What are the key properties of [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 277.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 94285993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).