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

C19H23N3O3S — CID 70752803

IUPAC(4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCCCc1nc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cs1
InChIInChI=1S/C19H23N3O3S/c1-3-4-17-20-16(13-26-17)19(24)22-11-9-21(10-12-22)18(23)14-5-7-15(25-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyZCQNNILLWZVSAP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.70
Rot. Bonds5

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

(4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 70752803) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID70752803
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCCCc1nc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cs1
InChIInChI=1S/C19H23N3O3S/c1-3-4-17-20-16(13-26-17)19(24)22-11-9-21(10-12-22)18(23)14-5-7-15(25-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyZCQNNILLWZVSAP-UHFFFAOYSA-N
XLogP2.70
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.70
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-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (CID 70752803) is (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is CCCc1nc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cs1.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ZCQNNILLWZVSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-4-17-20-16(13-26-17)19(24)22-11-9-21(10-12-22)18(23)14-5-7-15(25-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 373.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(2-propyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70752803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).