(4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

C19H23N3O3S — CID 70783739

IUPAC(4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3csc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)17-20-16(12-26-17)19(24)22-10-8-21(9-11-22)18(23)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLKWKJJDJRFEZMV-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.87
Rot. Bonds4

About (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 70783739) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID70783739
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3csc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)17-20-16(12-26-17)19(24)22-10-8-21(9-11-22)18(23)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLKWKJJDJRFEZMV-UHFFFAOYSA-N
XLogP2.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (CID 70783739) is (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3csc(C(C)C)n3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LKWKJJDJRFEZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(2)17-20-16(12-26-17)19(24)22-10-8-21(9-11-22)18(23)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 373.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70783739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).