1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate

C26H32N4O2S — CID 25095733

IUPAC1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate
SMILESO=C(NC(CCN1CCNCC1)(Cc1ccccc1)Cc1ccccc1)OCc1cncs1
InChIInChI=1S/C26H32N4O2S/c31-25(32-20-24-19-28-21-33-24)29-26(17-22-7-3-1-4-8-22,18-23-9-5-2-6-10-23)11-14-30-15-12-27-13-16-30/h1-10,19,21,27H,11-18,20H2,(H,29,31)
InChIKeySFCRFMQBDVCNMT-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.89
Rot. Bonds10

About 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate

1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate (PubChem CID 25095733) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate
PubChem CID25095733
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate
SMILESO=C(NC(CCN1CCNCC1)(Cc1ccccc1)Cc1ccccc1)OCc1cncs1
InChIInChI=1S/C26H32N4O2S/c31-25(32-20-24-19-28-21-33-24)29-26(17-22-7-3-1-4-8-22,18-23-9-5-2-6-10-23)11-14-30-15-12-27-13-16-30/h1-10,19,21,27H,11-18,20H2,(H,29,31)
InChIKeySFCRFMQBDVCNMT-UHFFFAOYSA-N
XLogP3.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate (CID 25095733) is 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate is O=C(NC(CCN1CCNCC1)(Cc1ccccc1)Cc1ccccc1)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate?
The InChIKey is SFCRFMQBDVCNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c31-25(32-20-24-19-28-21-33-24)29-26(17-22-7-3-1-4-8-22,18-23-9-5-2-6-10-23)11-14-30-15-12-27-13-16-30/h1-10,19,21,27H,11-18,20H2,(H,29,31).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate?
1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate has a molecular weight of 464.64 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(2-benzyl-1-phenyl-4-piperazin-1-ylbutan-2-yl)carbamate is sourced from PubChem (CID 25095733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).