[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C20H27N3O3S — CID 51306324

IUPAC[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3nccs3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C20H27N3O3S/c1-15(2)6-12-26-17-5-4-16(14-18(17)25-3)19(24)22-8-10-23(11-9-22)20-21-7-13-27-20/h4-5,7,13-15H,6,8-12H2,1-3H3
InChIKeyCZOJMJURFUBVDY-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.54
Rot. Bonds7

About [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 51306324) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID51306324
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3nccs3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C20H27N3O3S/c1-15(2)6-12-26-17-5-4-16(14-18(17)25-3)19(24)22-8-10-23(11-9-22)20-21-7-13-27-20/h4-5,7,13-15H,6,8-12H2,1-3H3
InChIKeyCZOJMJURFUBVDY-UHFFFAOYSA-N
XLogP3.54
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 60588791
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
(4-hexoxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55329457
[3-bromo-4-(3-methylbutoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 17175873
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 55502904
5-[4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691700
N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749510

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 51306324) is [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(c3nccs3)CC2)ccc1OCCC(C)C.
What is the InChIKey of [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is CZOJMJURFUBVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)6-12-26-17-5-4-16(14-18(17)25-3)19(24)22-8-10-23(11-9-22)20-21-7-13-27-20/h4-5,7,13-15H,6,8-12H2,1-3H3.
What are the key properties of [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 389.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 51306324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).