piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone

C17H21N3O2S — CID 119402859

IUPACpiperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CCNCC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)22-14-5-3-13(4-6-14)16-19-15(11-23-16)17(21)20-9-7-18-8-10-20/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyCAZWUOYUXKAALW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.64
Rot. Bonds4

About piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone

piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 119402859) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID119402859
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Namepiperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CCNCC3)cs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)22-14-5-3-13(4-6-14)16-19-15(11-23-16)17(21)20-9-7-18-8-10-20/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyCAZWUOYUXKAALW-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412347
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 167991109
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
4-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 36758301
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone (CID 119402859) is piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone is CC(C)Oc1ccc(-c2nc(C(=O)N3CCNCC3)cs2)cc1.
What is the InChIKey of piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is CAZWUOYUXKAALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(2)22-14-5-3-13(4-6-14)16-19-15(11-23-16)17(21)20-9-7-18-8-10-20/h3-6,11-12,18H,7-10H2,1-2H3.
What are the key properties of piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone?
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 331.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 119402859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).