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

C16H21N3O3S — CID 95326170

IUPAC[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C16H21N3O3S/c1-11(20)10-18-5-7-19(8-6-18)16(21)14-12(2)23-15(17-14)13-4-3-9-22-13/h3-4,9,11,20H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKeyGNNDKYLXKPNNQM-NSHDSACASA-N
MW335.43 g/mol
LogP1.85
Rot. Bonds4

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

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95326170) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95326170
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C16H21N3O3S/c1-11(20)10-18-5-7-19(8-6-18)16(21)14-12(2)23-15(17-14)13-4-3-9-22-13/h3-4,9,11,20H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKeyGNNDKYLXKPNNQM-NSHDSACASA-N
XLogP1.85
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-hydroxypiperidin-1-yl)methanone
CID 43417508
[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]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 30827996
[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]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874467
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-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119539568
2-(furan-2-yl)-N-(4-hydroxypentyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 107299887
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95326170) is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is Cc1sc(-c2ccco2)nc1C(=O)N1CCN(C[C@H](C)O)CC1.
What is the InChIKey of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is GNNDKYLXKPNNQM-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11(20)10-18-5-7-19(8-6-18)16(21)14-12(2)23-15(17-14)13-4-3-9-22-13/h3-4,9,11,20H,5-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 335.43 g/mol, XLogP of 1.85, 4 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-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95326170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).