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

C19H19N3O3S — CID 30827996

IUPAC[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H19N3O3S/c1-13-17(20-18(26-13)16-7-4-12-25-16)19(24)22-10-8-21(9-11-22)14-5-2-3-6-15(14)23/h2-7,12,23H,8-11H2,1H3
InChIKeySVUQPFIEMYQPRZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.38
Rot. Bonds3

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

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 30827996) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID30827996
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H19N3O3S/c1-13-17(20-18(26-13)16-7-4-12-25-16)19(24)22-10-8-21(9-11-22)14-5-2-3-6-15(14)23/h2-7,12,23H,8-11H2,1H3
InChIKeySVUQPFIEMYQPRZ-UHFFFAOYSA-N
XLogP3.38
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508
2-[4-[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39462105
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
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]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874467
[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]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583079
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119539568
[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

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 30827996) is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Cc1sc(-c2ccco2)nc1C(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SVUQPFIEMYQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-17(20-18(26-13)16-7-4-12-25-16)19(24)22-10-8-21(9-11-22)14-5-2-3-6-15(14)23/h2-7,12,23H,8-11H2,1H3.
What are the key properties of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30827996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).