1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one

C24H24N4O2S — CID 66771883

IUPAC1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
SMILESO=C(C=CN1CC(N2CCN(C(=O)c3nccs3)CC2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24N4O2S/c29-22(20-6-5-18-3-1-2-4-19(18)15-20)7-9-26-16-21(17-26)27-10-12-28(13-11-27)24(30)23-25-8-14-31-23/h1-9,14-15,21H,10-13,16-17H2
InChIKeySOJBFGQJJAYBLD-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.13
Rot. Bonds5

About 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one

1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 66771883) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
PubChem CID66771883
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
SMILESO=C(C=CN1CC(N2CCN(C(=O)c3nccs3)CC2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24N4O2S/c29-22(20-6-5-18-3-1-2-4-19(18)15-20)7-9-26-16-21(17-26)27-10-12-28(13-11-27)24(30)23-25-8-14-31-23/h1-9,14-15,21H,10-13,16-17H2
InChIKeySOJBFGQJJAYBLD-UHFFFAOYSA-N
XLogP3.13
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-phenyl-3H-benzimidazol-5-yl)-[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840197
(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840347
3-(2-chlorophenyl)-1-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 75292783
(1-pyrimidin-2-ylindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839937
(2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840418
(4-pyrimidin-5-ylphenyl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840043
(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 59625837
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 123497602
(3-phenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840730
[6-(4-fluorophenyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840868
[1-(2,2-difluoroethyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 59625878
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one (CID 66771883) is 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one is O=C(C=CN1CC(N2CCN(C(=O)c3nccs3)CC2)C1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one?
The InChIKey is SOJBFGQJJAYBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-22(20-6-5-18-3-1-2-4-19(18)15-20)7-9-26-16-21(17-26)27-10-12-28(13-11-27)24(30)23-25-8-14-31-23/h1-9,14-15,21H,10-13,16-17H2.
What are the key properties of 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one?
1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 432.55 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 66771883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).