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

C26H25N3O3S — CID 16764899

IUPAC[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1ccc(-c2csc(N3CCN(C(=O)c4ccc(COc5ccccc5)o4)CC3)n2)cc1
InChIInChI=1S/C26H25N3O3S/c1-19-7-9-20(10-8-19)23-18-33-26(27-23)29-15-13-28(14-16-29)25(30)24-12-11-22(32-24)17-31-21-5-3-2-4-6-21/h2-12,18H,13-17H2,1H3
InChIKeyBZCFFJPNBYDCTP-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.25
Rot. Bonds6

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

[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 16764899) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
PubChem CID16764899
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1ccc(-c2csc(N3CCN(C(=O)c4ccc(COc5ccccc5)o4)CC3)n2)cc1
InChIInChI=1S/C26H25N3O3S/c1-19-7-9-20(10-8-19)23-18-33-26(27-23)29-15-13-28(14-16-29)25(30)24-12-11-22(32-24)17-31-21-5-3-2-4-6-21/h2-12,18H,13-17H2,1H3
InChIKeyBZCFFJPNBYDCTP-UHFFFAOYSA-N
XLogP5.25
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 46521299
tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 46513396
N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 3223682
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 45076516
[5-[(3-chlorophenoxy)methyl]furan-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297059
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9467409
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19297096
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
N-(2-ethylphenyl)-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447493

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone (CID 16764899) is [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone is Cc1ccc(-c2csc(N3CCN(C(=O)c4ccc(COc5ccccc5)o4)CC3)n2)cc1.
What is the InChIKey of [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is BZCFFJPNBYDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-19-7-9-20(10-8-19)23-18-33-26(27-23)29-15-13-28(14-16-29)25(30)24-12-11-22(32-24)17-31-21-5-3-2-4-6-21/h2-12,18H,13-17H2,1H3.
What are the key properties of [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 459.57 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 16764899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).