N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide

C25H32N6O2S — CID 59548764

IUPACN-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cc(C(C)(C)C)ns3)CC2)n1
InChIInChI=1S/C25H32N6O2S/c1-17-14-18(2)31(27-17)16-23(32)30-12-10-29(11-13-30)20-9-7-6-8-19(20)24(33)26-22-15-21(28-34-22)25(3,4)5/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,33)
InChIKeyRZWQKSFDGUUJKS-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.86
Rot. Bonds5

About N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide

N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide (PubChem CID 59548764) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
PubChem CID59548764
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC NameN-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cc(C(C)(C)C)ns3)CC2)n1
InChIInChI=1S/C25H32N6O2S/c1-17-14-18(2)31(27-17)16-23(32)30-12-10-29(11-13-30)20-9-7-6-8-19(20)24(33)26-22-15-21(28-34-22)25(3,4)5/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,33)
InChIKeyRZWQKSFDGUUJKS-UHFFFAOYSA-N
XLogP3.86
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?
The IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide (CID 59548764) is N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?
The canonical SMILES for N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3cc(C(C)(C)C)ns3)CC2)n1.
What is the InChIKey of N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?
The InChIKey is RZWQKSFDGUUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-17-14-18(2)31(27-17)16-23(32)30-12-10-29(11-13-30)20-9-7-6-8-19(20)24(33)26-22-15-21(28-34-22)25(3,4)5/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,33).
What are the key properties of N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide?
N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide has a molecular weight of 480.64 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 59548764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).