[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C18H25N3O3S — CID 72841560

IUPAC[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(Cc3ccoc3)C(CCO)C2)cs1
InChIInChI=1S/C18H25N3O3S/c1-2-3-17-19-16(13-25-17)18(23)21-7-6-20(15(11-21)4-8-22)10-14-5-9-24-12-14/h5,9,12-13,15,22H,2-4,6-8,10-11H2,1H3
InChIKeyADKBUSHBELLDMM-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.40
Rot. Bonds7

About [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 72841560) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID72841560
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCN(Cc3ccoc3)C(CCO)C2)cs1
InChIInChI=1S/C18H25N3O3S/c1-2-3-17-19-16(13-25-17)18(23)21-7-6-20(15(11-21)4-8-22)10-14-5-9-24-12-14/h5,9,12-13,15,22H,2-4,6-8,10-11H2,1H3
InChIKeyADKBUSHBELLDMM-UHFFFAOYSA-N
XLogP2.40
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72846969
[(3S)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1-methylindol-6-yl)methanone
CID 97205546
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
CID 72866097
[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72885837
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
(3R)-N-(2-fluoro-4-methoxyphenyl)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97453606
benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 74240582
(2-propyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70735530
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 120646449
[(3R)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-[4-(hydroxymethyl)-2-pyridinyl]methanone
CID 124680278
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72900431

Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 72841560) is [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCN(Cc3ccoc3)C(CCO)C2)cs1.
What is the InChIKey of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ADKBUSHBELLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-2-3-17-19-16(13-25-17)18(23)21-7-6-20(15(11-21)4-8-22)10-14-5-9-24-12-14/h5,9,12-13,15,22H,2-4,6-8,10-11H2,1H3.
What are the key properties of [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 363.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72841560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).